N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide

C17H13N5O3 — CID 166321510

IUPACN-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(OCc2ncn[nH]2)cc1)c1cc2cnccc2o1
InChIInChI=1S/C17H13N5O3/c23-17(15-7-11-8-18-6-5-14(11)25-15)21-12-1-3-13(4-2-12)24-9-16-19-10-20-22-16/h1-8,10H,9H2,(H,21,23)(H,19,20,22)
InChIKeyYAUDDTXWAAVDJS-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.78
Rot. Bonds5

About N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide

N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide (PubChem CID 166321510) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide
PubChem CID166321510
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC NameN-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(OCc2ncn[nH]2)cc1)c1cc2cnccc2o1
InChIInChI=1S/C17H13N5O3/c23-17(15-7-11-8-18-6-5-14(11)25-15)21-12-1-3-13(4-2-12)24-9-16-19-10-20-22-16/h1-8,10H,9H2,(H,21,23)(H,19,20,22)
InChIKeyYAUDDTXWAAVDJS-UHFFFAOYSA-N
XLogP2.78
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US10730889, Example 100
CID 89785056
US10730889, Example 254
CID 90012851
N-[2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 31618826
N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-ylcarbamoyl)phenyl]furan-2-carboxamide
CID 45834240
7-fluoro-3-methyl-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)-1-benzofuran-2-carboxamide
CID 45834440
3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide
CID 59704729
3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide
CID 59704738
5-[1-[(4-fluorooxan-4-yl)methyl]pyrazol-4-yl]-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)furan-2-carboxamide
CID 89895146
[7-tert-butyl-5-(4-fluoro-3-methylphenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone
CID 122573903
[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]-[5-(4-fluorophenyl)-7-propan-2-ylfuro[3,2-b]pyridin-2-yl]methanone
CID 134296597
[7-tert-butyl-5-(4-fluorophenyl)furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone
CID 134296599
[7-tert-butyl-5-[4-(trifluoromethyl)phenyl]furo[3,2-b]pyridin-2-yl]-[2,2-dimethyl-4-(1H-1,2,4-triazole-5-carbonyl)piperazin-1-yl]methanone
CID 134302105

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide (CID 166321510) is N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide is O=C(Nc1ccc(OCc2ncn[nH]2)cc1)c1cc2cnccc2o1.
What is the InChIKey of N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is YAUDDTXWAAVDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c23-17(15-7-11-8-18-6-5-14(11)25-15)21-12-1-3-13(4-2-12)24-9-16-19-10-20-22-16/h1-8,10H,9H2,(H,21,23)(H,19,20,22).
What are the key properties of N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide?
N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 335.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-1,2,4-triazol-5-ylmethoxy)phenyl]furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 166321510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).