N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

C19H15N5O2 — CID 51091733

IUPACN-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccco1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C19H15N5O2/c25-19(15-8-9-21-17(11-15)24-13-20-12-22-24)23-18(16-7-4-10-26-16)14-5-2-1-3-6-14/h1-13,18H,(H,23,25)
InChIKeyGDMFKWPPFWAYCV-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.77
Rot. Bonds5

About N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide

N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (PubChem CID 51091733) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
PubChem CID51091733
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC NameN-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccco1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C19H15N5O2/c25-19(15-8-9-21-17(11-15)24-13-20-12-22-24)23-18(16-7-4-10-26-16)14-5-2-1-3-6-14/h1-13,18H,(H,23,25)
InChIKeyGDMFKWPPFWAYCV-UHFFFAOYSA-N
XLogP2.77
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51091279
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526029
2-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoro-1-phenylpropyl)pyridine-4-carboxamide
CID 47070462
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 75479462
N-[4-(furan-2-yl)butan-2-yl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091723
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94800245
N-(1-hydroxy-3-phenylpropan-2-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 109388013
N-[(1S)-1-(3-propan-2-yloxyphenyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51966121
N-(6-phenylpyridazin-3-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 71854091
3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928171
N-(1-naphthalen-1-ylethyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087859
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide (CID 51091733) is N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is O=C(NC(c1ccccc1)c1ccco1)c1ccnc(-n2cncn2)c1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
The InChIKey is GDMFKWPPFWAYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c25-19(15-8-9-21-17(11-15)24-13-20-12-22-24)23-18(16-7-4-10-26-16)14-5-2-1-3-6-14/h1-13,18H,(H,23,25).
What are the key properties of N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide?
N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 51091733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).