N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide

C18H19N5O2 — CID 100642548

IUPACN-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncccc1C(=O)NCc1ncnn1-c1ccccc1
InChIInChI=1S/C18H19N5O2/c1-13(2)25-18-15(9-6-10-19-18)17(24)20-11-16-21-12-22-23(16)14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,20,24)
InChIKeyQBOGKSUVMNXNMC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.38
Rot. Bonds6

About N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide

N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide (PubChem CID 100642548) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide
PubChem CID100642548
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ncccc1C(=O)NCc1ncnn1-c1ccccc1
InChIInChI=1S/C18H19N5O2/c1-13(2)25-18-15(9-6-10-19-18)17(24)20-11-16-21-12-22-23(16)14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,20,24)
InChIKeyQBOGKSUVMNXNMC-UHFFFAOYSA-N
XLogP2.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclobutyl-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 167834882
5-(aminomethyl)-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 166363555
2-[[(2-propan-2-yloxy-3-pyridinyl)amino]methyl]benzoic acid
CID 103243931
4-chloro-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 81229055
2-methoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridine-3-carboxamide
CID 60598831
propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate
CID 121229095
2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 166385426
2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridine-3-carboxamide
CID 56826346
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
7-fluoro-3-oxo-N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-4H-1,4-benzoxazine-6-carboxamide
CID 146097107
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
CID 47057623
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721

Frequently Asked Questions

What is the IUPAC name of N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide (CID 100642548) is N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ncccc1C(=O)NCc1ncnn1-c1ccccc1.
What is the InChIKey of N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is QBOGKSUVMNXNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-13(2)25-18-15(9-6-10-19-18)17(24)20-11-16-21-12-22-23(16)14-7-4-3-5-8-14/h3-10,12-13H,11H2,1-2H3,(H,20,24).
What are the key properties of N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide?
N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenyl-1,2,4-triazol-3-yl)methyl]-2-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 100642548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).