N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C14H18N6O — CID 119567147

IUPACN-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESNCC1(NC(=O)c2ccc(-n3cncn3)nc2)CCCC1
InChIInChI=1S/C14H18N6O/c15-8-14(5-1-2-6-14)19-13(21)11-3-4-12(17-7-11)20-10-16-9-18-20/h3-4,7,9-10H,1-2,5-6,8,15H2,(H,19,21)
InChIKeySBCQDPVMQNUGRS-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.66
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 119567147) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID119567147
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESNCC1(NC(=O)c2ccc(-n3cncn3)nc2)CCCC1
InChIInChI=1S/C14H18N6O/c15-8-14(5-1-2-6-14)19-13(21)11-3-4-12(17-7-11)20-10-16-9-18-20/h3-4,7,9-10H,1-2,5-6,8,15H2,(H,19,21)
InChIKeySBCQDPVMQNUGRS-UHFFFAOYSA-N
XLogP0.66
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 107847089
N-[1-(aminomethyl)cyclopentyl]-6-methylpyridine-3-carboxamide
CID 63753423
N-(2-hydroxyethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43416525
N-[1-(aminomethyl)cyclohexyl]-6-methylpyridine-3-carboxamide
CID 63755844
N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 79194159
N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 136528247
N-[2-(ethylamino)ethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 119507752
6-(1,2,4-triazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725935
6-(1,2,4-triazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60982812
N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 64555973
6-(1,2,4-triazol-1-yl)pyridine-3-carbothioamide
CID 2746789
N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43429763

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 119567147) is N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is NCC1(NC(=O)c2ccc(-n3cncn3)nc2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is SBCQDPVMQNUGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c15-8-14(5-1-2-6-14)19-13(21)11-3-4-12(17-7-11)20-10-16-9-18-20/h3-4,7,9-10H,1-2,5-6,8,15H2,(H,19,21).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 119567147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).