2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide

C17H18N6O — CID 50973850

IUPAC2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCc2cccnc2-n2cncn2)ccn1
InChIInChI=1S/C17H18N6O/c1-2-4-15-9-13(6-8-19-15)17(24)21-10-14-5-3-7-20-16(14)23-12-18-11-22-23/h3,5-9,11-12H,2,4,10H2,1H3,(H,21,24)
InChIKeyAYJVVMPBALYCKC-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.94
Rot. Bonds6

About 2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide

2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide (PubChem CID 50973850) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
PubChem CID50973850
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCc2cccnc2-n2cncn2)ccn1
InChIInChI=1S/C17H18N6O/c1-2-4-15-9-13(6-8-19-15)17(24)21-10-14-5-3-7-20-16(14)23-12-18-11-22-23/h3,5-9,11-12H,2,4,10H2,1H3,(H,21,24)
InChIKeyAYJVVMPBALYCKC-UHFFFAOYSA-N
XLogP1.94
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 47036805
3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 155951667
4-methoxy-3-nitro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721166
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55841050
3-(2-ethoxyphenyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]propanamide
CID 55720357
4-ethyl-2-pyrimidin-2-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
CID 154821426
3-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 47036861
4-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]chromene-2-carboxamide
CID 47036755
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55720371
2-methyl-5-methylsulfonyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721134
1-[(2S)-3-methylbutan-2-yl]-3-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]urea
CID 94027698

Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide (CID 50973850) is 2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide is CCCc1cc(C(=O)NCc2cccnc2-n2cncn2)ccn1.
What is the InChIKey of 2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The InChIKey is AYJVVMPBALYCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-2-4-15-9-13(6-8-19-15)17(24)21-10-14-5-3-7-20-16(14)23-12-18-11-22-23/h3,5-9,11-12H,2,4,10H2,1H3,(H,21,24).
What are the key properties of 2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide?
2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 50973850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).