N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide

C23H30N4O — CID 10271027

IUPACN-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCCN(C)CCCc3ccc(CN)cc3)cc2c1
InChIInChI=1S/C23H30N4O/c1-17-5-10-21-20(14-17)15-22(26-21)23(28)25-11-13-27(2)12-3-4-18-6-8-19(16-24)9-7-18/h5-10,14-15,26H,3-4,11-13,16,24H2,1-2H3,(H,25,28)
InChIKeyAEPKMOKKUUNTTI-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.23
Rot. Bonds9

About N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide

N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide (PubChem CID 10271027) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide
PubChem CID10271027
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2[nH]c(C(=O)NCCN(C)CCCc3ccc(CN)cc3)cc2c1
InChIInChI=1S/C23H30N4O/c1-17-5-10-21-20(14-17)15-22(26-21)23(28)25-11-13-27(2)12-3-4-18-6-8-19(16-24)9-7-18/h5-10,14-15,26H,3-4,11-13,16,24H2,1-2H3,(H,25,28)
InChIKeyAEPKMOKKUUNTTI-UHFFFAOYSA-N
XLogP3.23
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-5-methyl-1H-indole-2-carboxamide
CID 113207116
N-[2-(4-fluorophenyl)ethyl]-5-methyl-1H-indole-2-carboxamide
CID 36704078
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958
N-[2-[3-[4-[[formyl-[(2-methylpropan-2-yl)oxy]amino]methyl]phenyl]propyl-methylamino]ethyl]-1H-indole-2-carboxamide
CID 87982328
5-methyl-N-prop-2-enyl-1H-indole-2-carboxamide
CID 4011828
5-ethyl-N-(2-formamidoethyl)-1H-indole-2-carboxamide
CID 145164495
N-[[4-(methanesulfonamido)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 47057856
3-(5-methyl-1H-indol-2-yl)-3-oxopropanoic acid
CID 165356574
2-(methylamino)-1-(5-methyl-1H-indol-2-yl)ethanone
CID 82397100
5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 7322431
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methyl-1H-indole-2-carboxamide
CID 36709921

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide (CID 10271027) is N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide is Cc1ccc2[nH]c(C(=O)NCCN(C)CCCc3ccc(CN)cc3)cc2c1.
What is the InChIKey of N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide?
The InChIKey is AEPKMOKKUUNTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-17-5-10-21-20(14-17)15-22(26-21)23(28)25-11-13-27(2)12-3-4-18-6-8-19(16-24)9-7-18/h5-10,14-15,26H,3-4,11-13,16,24H2,1-2H3,(H,25,28).
What are the key properties of N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide?
N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.23, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-5-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 10271027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).