2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide

C18H13ClN4O2 — CID 39188157

IUPAC2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccnc(Cl)c2)c1)c1cccnc1
InChIInChI=1S/C18H13ClN4O2/c19-16-9-12(6-8-21-16)17(24)22-14-4-1-5-15(10-14)23-18(25)13-3-2-7-20-11-13/h1-11H,(H,22,24)(H,23,25)
InChIKeyRGIALOIGHJTAFU-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.63
Rot. Bonds4

About 2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide

2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide (PubChem CID 39188157) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide
PubChem CID39188157
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2ccnc(Cl)c2)c1)c1cccnc1
InChIInChI=1S/C18H13ClN4O2/c19-16-9-12(6-8-21-16)17(24)22-14-4-1-5-15(10-14)23-18(25)13-3-2-7-20-11-13/h1-11H,(H,22,24)(H,23,25)
InChIKeyRGIALOIGHJTAFU-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

N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
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CID 679756
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
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N-[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
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2-chloro-N-(4-iodo-3-pyridinyl)pyridine-4-carboxamide
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N-[3-[(2-cyanoacetyl)amino]phenyl]pyridine-3-carboxamide
CID 108922649
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39678520
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
N-[3-[[(4-bromobenzoyl)amino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 78863694
N-[3-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925180
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
CID 144842731

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide (CID 39188157) is 2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(NC(=O)c2ccnc(Cl)c2)c1)c1cccnc1.
What is the InChIKey of 2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide?
The InChIKey is RGIALOIGHJTAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c19-16-9-12(6-8-21-16)17(24)22-14-4-1-5-15(10-14)23-18(25)13-3-2-7-20-11-13/h1-11H,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide?
2-chloro-N-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-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-[3-(pyridine-3-carbonylamino)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 39188157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).