5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide

C16H16N6O — CID 166363555

IUPAC5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESNCc1cncc(C(=O)NCc2ncnn2-c2ccccc2)c1
InChIInChI=1S/C16H16N6O/c17-7-12-6-13(9-18-8-12)16(23)19-10-15-20-11-21-22(15)14-4-2-1-3-5-14/h1-6,8-9,11H,7,10,17H2,(H,19,23)
InChIKeyRTIWGTWTZBDVPZ-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.05
Rot. Bonds5

About 5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide

5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 166363555) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
PubChem CID166363555
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
SMILESNCc1cncc(C(=O)NCc2ncnn2-c2ccccc2)c1
InChIInChI=1S/C16H16N6O/c17-7-12-6-13(9-18-8-12)16(23)19-10-15-20-11-21-22(15)14-4-2-1-3-5-14/h1-6,8-9,11H,7,10,17H2,(H,19,23)
InChIKeyRTIWGTWTZBDVPZ-UHFFFAOYSA-N
XLogP1.05
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]benzoyl]amino]acetic acid
CID 146148396
N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide
CID 100642548
2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 167834882
N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 107447340
5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide
CID 167894502
N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide
CID 81090318
3-(2-methylphenyl)-1-phenyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrazole-4-carboxamide
CID 146089712
5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 139034068
7-fluoro-3-oxo-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide
CID 146097107
3-(aminomethyl)-6-[5-(benzylcarbamoyl)-3-pyridinyl]pyrazine-2-carboxamide
CID 91376256
N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-phenyl-1,2,4-triazole-3-carboxamide
CID 168950572
3-N-benzyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105029

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide (CID 166363555) is 5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is NCc1cncc(C(=O)NCc2ncnn2-c2ccccc2)c1.
What is the InChIKey of 5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is RTIWGTWTZBDVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c17-7-12-6-13(9-18-8-12)16(23)19-10-15-20-11-21-22(15)14-4-2-1-3-5-14/h1-6,8-9,11H,7,10,17H2,(H,19,23).
What are the key properties of 5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide?
5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 166363555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).