N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide

C19H14N6O3 — CID 47057844

IUPACN-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H14N6O3/c26-17(23-19-22-16(24-25-19)14-7-1-2-9-20-14)12-5-3-6-13(11-12)21-18(27)15-8-4-10-28-15/h1-11H,(H,21,27)(H2,22,23,24,25,26)
InChIKeyRIDXULMMVRESKL-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.96
Rot. Bonds5

About N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide

N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 47057844) has the molecular formula C19H14N6O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID47057844
Molecular FormulaC19H14N6O3
Molecular Weight374.36 g/mol
Exact Mass374.11
IUPAC NameN-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H14N6O3/c26-17(23-19-22-16(24-25-19)14-7-1-2-9-20-14)12-5-3-6-13(11-12)21-18(27)15-8-4-10-28-15/h1-11H,(H,21,27)(H2,22,23,24,25,26)
InChIKeyRIDXULMMVRESKL-UHFFFAOYSA-N
XLogP2.96
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide (CID 47057844) is N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide is O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is RIDXULMMVRESKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O3/c26-17(23-19-22-16(24-25-19)14-7-1-2-9-20-14)12-5-3-6-13(11-12)21-18(27)15-8-4-10-28-15/h1-11H,(H,21,27)(H2,22,23,24,25,26).
What are the key properties of N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide?
N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 374.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 47057844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).