5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide

C17H17N5O2 — CID 146152132

IUPAC5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)NCCn2cc(-c3ccccc3)nn2)nc1
InChIInChI=1S/C17H17N5O2/c1-24-14-7-8-15(19-11-14)17(23)18-9-10-22-12-16(20-21-22)13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,18,23)
InChIKeyLEFOQNRZLXDJFV-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.78
Rot. Bonds6

About 5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide

5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide (PubChem CID 146152132) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide
PubChem CID146152132
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide
SMILESCOc1ccc(C(=O)NCCn2cc(-c3ccccc3)nn2)nc1
InChIInChI=1S/C17H17N5O2/c1-24-14-7-8-15(19-11-14)17(23)18-9-10-22-12-16(20-21-22)13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,18,23)
InChIKeyLEFOQNRZLXDJFV-UHFFFAOYSA-N
XLogP1.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-phenyltriazol-1-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167991782
3,4-difluoro-N-[2-(4-phenyltriazol-1-yl)ethyl]benzamide
CID 146152118
1-(2-methoxyethyl)-4-phenyltriazole
CID 50852603
N-(2-amino-2-oxoethyl)-5-methoxypyridine-2-carboxamide
CID 70798134
5-[4-(4-methoxyphenyl)triazol-1-yl]pentan-1-ol
CID 118336678
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
1-(2-methoxyethyl)-4-(4-methoxyphenyl)triazole
CID 50852608
methyl 2-[(5-methoxypyridine-2-carbonyl)amino]acetate
CID 70798080
5-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109190458
N-ethyl-5-(4-methoxyphenyl)pyridine-2-carboxamide
CID 174990396
N-benzyl-1-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]-N-methyltriazole-4-carboxamide
CID 26349069
2-[4-(4-methoxyphenyl)triazol-1-yl]-N-methylacetamide
CID 155020377

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide (CID 146152132) is 5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide is COc1ccc(C(=O)NCCn2cc(-c3ccccc3)nn2)nc1.
What is the InChIKey of 5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is LEFOQNRZLXDJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-24-14-7-8-15(19-11-14)17(23)18-9-10-22-12-16(20-21-22)13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,18,23).
What are the key properties of 5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide?
5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-(4-phenyltriazol-1-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 146152132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).