3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide

C101H114N24O5 — CID 158613694

IUPAC3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide
SMILESCN(C)CCc1c[nH]c2ccc(C(N)=O)cc12.CNC(=O)c1ccc2[nH]cc(CCN)c2c1.CNCCc1c[nH]c2ccc(C(N)=O)cc12.N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1.N#Cc1ccc2[nH]cc(C3CCNCC3)c2c1.N#Cc1ccc2[nH]cc(CCN)c2c1.NC(=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1.NCCc1c[nH]c2ccc(C(N)=O)cc12
InChIInChI=1S/C14H15N3O.C14H15N3.C14H13N3.C13H17N3O.2C12H15N3O.C11H13N3O.C11H11N3/c15-14(18)10-1-2-13-11(7-10)12(8-17-13)9-3-5-16-6-4-9;2*15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11;1-16(2)6-5-10-8-15-12-4-3-9(13(14)17)7-11(10)12;1-14-5-4-9-7-15-11-3-2-8(12(13)16)6-10(9)11;1-14-12(16)8-2-3-11-10(6-8)9(4-5-13)7-15-11;12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10;12-4-3-9-7-14-11-2-1-8(6-13)5-10(9)11/h1-3,7-8,16-17H,4-6H2,(H2,15,18);1-2,7,9,11,16-17H,3-6H2;1-3,7,9,16-17H,4-6H2;3-4,7-8,15H,5-6H2,1-2H3,(H2,14,17);2-3,6-7,14-15H,4-5H2,1H3,(H2,13,16);2-3,6-7,15H,4-5,13H2,1H3,(H,14,16);1-2,5-6,14H,3-4,12H2,(H2,13,15);1-2,5,7,14H,3-4,12H2
InChIKeyHXDJLSHBSIHFAA-UHFFFAOYSA-N
MW1744.19 g/mol
LogP12.30
Rot. Bonds20

About 3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide

3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide (PubChem CID 158613694) has the molecular formula C101H114N24O5 and a molecular weight of 1744.19 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound Name3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide
PubChem CID158613694
Molecular FormulaC101H114N24O5
Molecular Weight1744.19 g/mol
Exact Mass1742.94
IUPAC Name3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide
SMILESCN(C)CCc1c[nH]c2ccc(C(N)=O)cc12.CNC(=O)c1ccc2[nH]cc(CCN)c2c1.CNCCc1c[nH]c2ccc(C(N)=O)cc12.N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1.N#Cc1ccc2[nH]cc(C3CCNCC3)c2c1.N#Cc1ccc2[nH]cc(CCN)c2c1.NC(=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1.NCCc1c[nH]c2ccc(C(N)=O)cc12
InChIInChI=1S/C14H15N3O.C14H15N3.C14H13N3.C13H17N3O.2C12H15N3O.C11H13N3O.C11H11N3/c15-14(18)10-1-2-13-11(7-10)12(8-17-13)9-3-5-16-6-4-9;2*15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11;1-16(2)6-5-10-8-15-12-4-3-9(13(14)17)7-11(10)12;1-14-5-4-9-7-15-11-3-2-8(12(13)16)6-10(9)11;1-14-12(16)8-2-3-11-10(6-8)9(4-5-13)7-15-11;12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10;12-4-3-9-7-14-11-2-1-8(6-13)5-10(9)11/h1-3,7-8,16-17H,4-6H2,(H2,15,18);1-2,7,9,11,16-17H,3-6H2;1-3,7,9,16-17H,4-6H2;3-4,7-8,15H,5-6H2,1-2H3,(H2,14,17);2-3,6-7,14-15H,4-5H2,1H3,(H2,13,16);2-3,6-7,15H,4-5,13H2,1H3,(H,14,16);1-2,5-6,14H,3-4,12H2,(H2,13,15);1-2,5,7,14H,3-4,12H2
InChIKeyHXDJLSHBSIHFAA-UHFFFAOYSA-N
XLogP12.30
TPSA528.57 Ų
H-Bond Donors20
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001744.19
LogP ≤ 512.30
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1016

Analyze 3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide with MolForge

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Related Compounds

Lly-507
CID 91623361
2-(3,5-dimethylphenyl)-N,N-di(propan-2-yl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indole-5-carboxamide
CID 44293148
2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indole-5-carboxylic acid diethylamide
CID 44293591
1-(7-Aza-bicyclo[2.2.1]hept-7-yl)-2-{2-(3,5-dimethyl-phenyl)-3-[(S)-1-methyl-2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-2-methyl-propan-1-one
CID 9808288
3-(4-{7-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]heptylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide
CID 9851789
4-{4-[4-(5-Cyano-1H-indol-3-yl)-butyl]-piperazin-1-yl}-benzamide
CID 11304169
3-{4-[4-(2-Cyano-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11452383
{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-(2,5-dimethyl-pyrrolidin-1-yl)-methanone
CID 44214098
2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indole-5-carboxamide
CID 44292918
2-(3,5-dimethylphenyl)-N,N-bis(2-methylpropyl)-3-[2-(4-pyridin-3-ylbutylamino)ethyl]-1H-indole-5-carboxamide
CID 44292919
N,N-dibutyl-2-(3,5-dimethylphenyl)-3-[2-(4-pyridin-4-ylbutylamino)ethyl]-1H-indole-5-carboxamide
CID 44292940
{2-(3,5-Dimethyl-phenyl)-3-[2-(4-pyridin-4-yl-butylamino)-ethyl]-1H-indol-5-yl}-pyrrolidin-1-yl-methanone
CID 44293213

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide?
The IUPAC name of 3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide (CID 158613694) is 3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for 3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide?
The canonical SMILES for 3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide is CN(C)CCc1c[nH]c2ccc(C(N)=O)cc12.CNC(=O)c1ccc2[nH]cc(CCN)c2c1.CNCCc1c[nH]c2ccc(C(N)=O)cc12.N#Cc1ccc2[nH]cc(C3=CCNCC3)c2c1.N#Cc1ccc2[nH]cc(C3CCNCC3)c2c1.N#Cc1ccc2[nH]cc(CCN)c2c1.NC(=O)c1ccc2[nH]cc(C3=CCNCC3)c2c1.NCCc1c[nH]c2ccc(C(N)=O)cc12.
What is the InChIKey of 3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide?
The InChIKey is HXDJLSHBSIHFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O.C14H15N3.C14H13N3.C13H17N3O.2C12H15N3O.C11H13N3O.C11H11N3/c15-14(18)10-1-2-13-11(7-10)12(8-17-13)9-3-5-16-6-4-9;2*15-8-10-1-2-14-12(7-10)13(9-17-14)11-3-5-16-6-4-11;1-16(2)6-5-10-8-15-12-4-3-9(13(14)17)7-11(10)12;1-14-5-4-9-7-15-11-3-2-8(12(13)16)6-10(9)11;1-14-12(16)8-2-3-11-10(6-8)9(4-5-13)7-15-11;12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10;12-4-3-9-7-14-11-2-1-8(6-13)5-10(9)11/h1-3,7-8,16-17H,4-6H2,(H2,15,18);1-2,7,9,11,16-17H,3-6H2;1-3,7,9,16-17H,4-6H2;3-4,7-8,15H,5-6H2,1-2H3,(H2,14,17);2-3,6-7,14-15H,4-5H2,1H3,(H2,13,16);2-3,6-7,15H,4-5,13H2,1H3,(H,14,16);1-2,5-6,14H,3-4,12H2,(H2,13,15);1-2,5,7,14H,3-4,12H2.
What are the key properties of 3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide?
3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide has a molecular weight of 1744.19 g/mol, XLogP of 12.30, 20 rotatable bonds, 20 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1H-indole-5-carbonitrile;3-(2-aminoethyl)-1H-indole-5-carboxamide;3-(2-aminoethyl)-N-methyl-1H-indole-5-carboxamide;3-[2-(dimethylamino)ethyl]-1H-indole-5-carboxamide;3-[2-(methylamino)ethyl]-1H-indole-5-carboxamide;3-piperidin-4-yl-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carbonitrile;3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 158613694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).