2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide

C16H16N4O — CID 112526138

IUPAC2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide
SMILESCc1cc2cc(NC(=O)c3ccnc(CN)c3)ccc2[nH]1
InChIInChI=1S/C16H16N4O/c1-10-6-12-8-13(2-3-15(12)19-10)20-16(21)11-4-5-18-14(7-11)9-17/h2-8,19H,9,17H2,1H3,(H,20,21)
InChIKeyQCMCEZPFCNXFBZ-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.58
Rot. Bonds3

About 2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide

2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide (PubChem CID 112526138) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide
PubChem CID112526138
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide
SMILESCc1cc2cc(NC(=O)c3ccnc(CN)c3)ccc2[nH]1
InChIInChI=1S/C16H16N4O/c1-10-6-12-8-13(2-3-15(12)19-10)20-16(21)11-4-5-18-14(7-11)9-17/h2-8,19H,9,17H2,1H3,(H,20,21)
InChIKeyQCMCEZPFCNXFBZ-UHFFFAOYSA-N
XLogP2.58
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methanesulfonamidomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide
CID 112526205
2-(aminomethyl)-N-(2-methyl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 112523669
2-(aminomethyl)-N-(4-carbamoylphenyl)pyridine-4-carboxamide
CID 114325508
2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
CID 114325497
N-(2-methyl-1H-indol-5-yl)-4-methylsulfanylbenzamide
CID 86930444
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 114325480
2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 114326705
2-(aminomethyl)-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 114325849
2-methyl-N-pyrimidin-2-yl-1H-indole-5-carboxamide
CID 110695111
2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide
CID 114325839
2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid
CID 114326175
2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide
CID 114325764

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide (CID 112526138) is 2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide is Cc1cc2cc(NC(=O)c3ccnc(CN)c3)ccc2[nH]1.
What is the InChIKey of 2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide?
The InChIKey is QCMCEZPFCNXFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-6-12-8-13(2-3-15(12)19-10)20-16(21)11-4-5-18-14(7-11)9-17/h2-8,19H,9,17H2,1H3,(H,20,21).
What are the key properties of 2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 112526138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).