N,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide

C98H115N13O5 — CID 158586897

IUPACN,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide
SMILESCC(C)c1cn(C)c2ccc(C(=O)N(C)C)cc12.CC(C)c1cn(C)c2ccc(C(=O)NCc3cccnc3)cc12.CC(C)c1cn(C)c2ccc(C(=O)NCc3ccncc3)cc12.CC(C)c1cn(C)c2ccc(C(=O)Nc3ccccc3)cc12.CC(C)c1cn(C)c2ccccc12.CNC(=O)c1ccc2c(c1)c(C(C)C)cn2C
InChIInChI=1S/2C19H21N3O.C19H20N2O.C15H20N2O.C14H18N2O.C12H15N/c1-13(2)17-12-22(3)18-5-4-15(10-16(17)18)19(23)21-11-14-6-8-20-9-7-14;1-13(2)17-12-22(3)18-7-6-15(9-16(17)18)19(23)21-11-14-5-4-8-20-10-14;1-13(2)17-12-21(3)18-10-9-14(11-16(17)18)19(22)20-15-7-5-4-6-8-15;1-10(2)13-9-17(5)14-7-6-11(8-12(13)14)15(18)16(3)4;1-9(2)12-8-16(4)13-6-5-10(7-11(12)13)14(17)15-3;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12/h2*4-10,12-13H,11H2,1-3H3,(H,21,23);4-13H,1-3H3,(H,20,22);6-10H,1-5H3;5-9H,1-4H3,(H,15,17);4-9H,1-3H3
InChIKeyHTYCAMDZVMINSZ-UHFFFAOYSA-N
MW1555.08 g/mol
LogP20.77
Rot. Bonds16

About N,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide

N,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide (PubChem CID 158586897) has the molecular formula C98H115N13O5 and a molecular weight of 1555.08 g/mol. Its IUPAC name is N,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide
PubChem CID158586897
Molecular FormulaC98H115N13O5
Molecular Weight1555.08 g/mol
Exact Mass1553.91
IUPAC NameN,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide
SMILESCC(C)c1cn(C)c2ccc(C(=O)N(C)C)cc12.CC(C)c1cn(C)c2ccc(C(=O)NCc3cccnc3)cc12.CC(C)c1cn(C)c2ccc(C(=O)NCc3ccncc3)cc12.CC(C)c1cn(C)c2ccc(C(=O)Nc3ccccc3)cc12.CC(C)c1cn(C)c2ccccc12.CNC(=O)c1ccc2c(c1)c(C(C)C)cn2C
InChIInChI=1S/2C19H21N3O.C19H20N2O.C15H20N2O.C14H18N2O.C12H15N/c1-13(2)17-12-22(3)18-5-4-15(10-16(17)18)19(23)21-11-14-6-8-20-9-7-14;1-13(2)17-12-22(3)18-7-6-15(9-16(17)18)19(23)21-11-14-5-4-8-20-10-14;1-13(2)17-12-21(3)18-10-9-14(11-16(17)18)19(22)20-15-7-5-4-6-8-15;1-10(2)13-9-17(5)14-7-6-11(8-12(13)14)15(18)16(3)4;1-9(2)12-8-16(4)13-6-5-10(7-11(12)13)14(17)15-3;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12/h2*4-10,12-13H,11H2,1-3H3,(H,21,23);4-13H,1-3H3,(H,20,22);6-10H,1-5H3;5-9H,1-4H3,(H,15,17);4-9H,1-3H3
InChIKeyHTYCAMDZVMINSZ-UHFFFAOYSA-N
XLogP20.77
TPSA192.07 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001555.08
LogP ≤ 520.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze N,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide with MolForge

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Related Compounds

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CID 45264052
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
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CID 44292919
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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide?
The IUPAC name of N,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide (CID 158586897) is N,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide?
The canonical SMILES for N,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide is CC(C)c1cn(C)c2ccc(C(=O)N(C)C)cc12.CC(C)c1cn(C)c2ccc(C(=O)NCc3cccnc3)cc12.CC(C)c1cn(C)c2ccc(C(=O)NCc3ccncc3)cc12.CC(C)c1cn(C)c2ccc(C(=O)Nc3ccccc3)cc12.CC(C)c1cn(C)c2ccccc12.CNC(=O)c1ccc2c(c1)c(C(C)C)cn2C.
What is the InChIKey of N,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide?
The InChIKey is HTYCAMDZVMINSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H21N3O.C19H20N2O.C15H20N2O.C14H18N2O.C12H15N/c1-13(2)17-12-22(3)18-5-4-15(10-16(17)18)19(23)21-11-14-6-8-20-9-7-14;1-13(2)17-12-22(3)18-7-6-15(9-16(17)18)19(23)21-11-14-5-4-8-20-10-14;1-13(2)17-12-21(3)18-10-9-14(11-16(17)18)19(22)20-15-7-5-4-6-8-15;1-10(2)13-9-17(5)14-7-6-11(8-12(13)14)15(18)16(3)4;1-9(2)12-8-16(4)13-6-5-10(7-11(12)13)14(17)15-3;1-9(2)11-8-13(3)12-7-5-4-6-10(11)12/h2*4-10,12-13H,11H2,1-3H3,(H,21,23);4-13H,1-3H3,(H,20,22);6-10H,1-5H3;5-9H,1-4H3,(H,15,17);4-9H,1-3H3.
What are the key properties of N,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide?
N,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide has a molecular weight of 1555.08 g/mol, XLogP of 20.77, 16 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-propan-2-ylindole-5-carboxamide;1-methyl-N-phenyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-yl-N-(pyridin-3-ylmethyl)indole-5-carboxamide;1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)indole-5-carboxamide;N,N,1-trimethyl-3-propan-2-ylindole-5-carboxamide is sourced from PubChem (CID 158586897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).