N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C13H12N6O — CID 106385679

IUPACN-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H12N6O/c20-13(17-6-10-3-4-14-5-10)11-1-2-12(16-7-11)19-9-15-8-18-19/h1-5,7-9,14H,6H2,(H,17,20)
InChIKeyRMPKVKHBRHUQDV-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.92
Rot. Bonds4

About N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 106385679) has the molecular formula C13H12N6O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID106385679
Molecular FormulaC13H12N6O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC NameN-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C13H12N6O/c20-13(17-6-10-3-4-14-5-10)11-1-2-12(16-7-11)19-9-15-8-18-19/h1-5,7-9,14H,6H2,(H,17,20)
InChIKeyRMPKVKHBRHUQDV-UHFFFAOYSA-N
XLogP0.92
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,2,4-triazol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60982812
N-(2-hydroxyethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43416525
6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide
CID 106385210
N-[2-(ethylamino)ethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 119507752
N-[4-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methylcarbamoyl]phenyl]pyridine-2-carboxamide
CID 47057346
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 107847089
N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43429763
N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 79194159
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 112813528
N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 136528247
6-(1,2,4-triazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725935
N-(1-hydroxy-2-methylbutan-2-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 64555973

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 106385679) is N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is O=C(NCc1cc[nH]c1)c1ccc(-n2cncn2)nc1.
What is the InChIKey of N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is RMPKVKHBRHUQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O/c20-13(17-6-10-3-4-14-5-10)11-1-2-12(16-7-11)19-9-15-8-18-19/h1-5,7-9,14H,6H2,(H,17,20).
What are the key properties of N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 106385679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).