N-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide

C15H12N6O2 — CID 154654637

IUPACN-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1cccnc1)c1cccnc1
InChIInChI=1S/C15H12N6O2/c22-14(10-3-1-5-16-7-10)20-12-9-18-21-13(12)15(23)19-11-4-2-6-17-8-11/h1-9H,(H,18,21)(H,19,23)(H,20,22)
InChIKeyJGQWWSFDAAEOAA-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.70
Rot. Bonds4

About N-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide

N-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide (PubChem CID 154654637) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide
PubChem CID154654637
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC NameN-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)Nc1cccnc1)c1cccnc1
InChIInChI=1S/C15H12N6O2/c22-14(10-3-1-5-16-7-10)20-12-9-18-21-13(12)15(23)19-11-4-2-6-17-8-11/h1-9H,(H,18,21)(H,19,23)(H,20,22)
InChIKeyJGQWWSFDAAEOAA-UHFFFAOYSA-N
XLogP1.70
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide (CID 154654637) is N-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide is O=C(Nc1cn[nH]c1C(=O)Nc1cccnc1)c1cccnc1.
What is the InChIKey of N-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide?
The InChIKey is JGQWWSFDAAEOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c22-14(10-3-1-5-16-7-10)20-12-9-18-21-13(12)15(23)19-11-4-2-6-17-8-11/h1-9H,(H,18,21)(H,19,23)(H,20,22).
What are the key properties of N-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide?
N-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide has a molecular weight of 308.30 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(pyridin-3-ylcarbamoyl)-1H-pyrazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154654637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).