2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide

C22H15ClN2O4 — CID 5133988

IUPAC2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C22H15ClN2O4/c1-28-19-9-8-13(16-11-14-5-2-3-7-18(14)29-22(16)27)12-17(19)25-21(26)15-6-4-10-24-20(15)23/h2-12H,1H3,(H,25,26)
InChIKeyWJASVSDNKKXAGO-UHFFFAOYSA-N
MW406.83 g/mol
LogP4.77
Rot. Bonds4

About 2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide

2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide (PubChem CID 5133988) has the molecular formula C22H15ClN2O4 and a molecular weight of 406.83 g/mol. Its IUPAC name is 2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide
PubChem CID5133988
Molecular FormulaC22H15ClN2O4
Molecular Weight406.83 g/mol
Exact Mass406.07
IUPAC Name2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C22H15ClN2O4/c1-28-19-9-8-13(16-11-14-5-2-3-7-18(14)29-22(16)27)12-17(19)25-21(26)15-6-4-10-24-20(15)23/h2-12H,1H3,(H,25,26)
InChIKeyWJASVSDNKKXAGO-UHFFFAOYSA-N
XLogP4.77
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 5126605
N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide
CID 3899634
3-bromo-4-ethoxy-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 2219017
2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1378119
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 4682019
5-bromo-2-methoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-methylbenzamide
CID 3945792
2,3,5,6-tetrafluoro-4-methoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide
CID 17315609
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 28675580
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1243980
3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 6486652
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide (CID 5133988) is 2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide is COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is WJASVSDNKKXAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O4/c1-28-19-9-8-13(16-11-14-5-2-3-7-18(14)29-22(16)27)12-17(19)25-21(26)15-6-4-10-24-20(15)23/h2-12H,1H3,(H,25,26).
What are the key properties of 2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide?
2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 406.83 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 5133988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).