2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide

C18H13ClN4O2 — CID 30336522

IUPAC2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1ccccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C18H13ClN4O2/c19-16-14(7-4-10-21-16)18(25)23-15-8-2-1-6-13(15)17(24)22-12-5-3-9-20-11-12/h1-11H,(H,22,24)(H,23,25)
InChIKeyZQQRTKKZPOIOMJ-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.63
Rot. Bonds4

About 2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide

2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 30336522) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID30336522
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccnc1)c1ccccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C18H13ClN4O2/c19-16-14(7-4-10-21-16)18(25)23-15-8-2-1-6-13(15)17(24)22-12-5-3-9-20-11-12/h1-11H,(H,22,24)(H,23,25)
InChIKeyZQQRTKKZPOIOMJ-UHFFFAOYSA-N
XLogP3.63
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-benzamido-N-pyridin-3-ylbenzamide
CID 730923
2-[(2-fluorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 30334935
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
2-[(2-chlorobenzoyl)amino]-5-iodo-N-pyridin-3-ylbenzamide
CID 2196346
2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103738978
N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-[(2-methoxyacetyl)amino]-N-pyridin-3-ylbenzamide
CID 30337604
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
CID 4245221
3,6-dichloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 30337065
2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 60748520
2-(pentanoylamino)-N-pyridin-3-ylbenzamide
CID 30336770

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 30336522) is 2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cccnc1)c1ccccc1NC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is ZQQRTKKZPOIOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c19-16-14(7-4-10-21-16)18(25)23-15-8-2-1-6-13(15)17(24)22-12-5-3-9-20-11-12/h1-11H,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide?
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 352.78 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 30336522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).