6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide

C17H13ClN2O3 — CID 171908393

IUPAC6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C17H13ClN2O3/c1-20(10-11-4-6-19-7-5-11)16(21)14-9-12-8-13(18)2-3-15(12)23-17(14)22/h2-9H,10H2,1H3
InChIKeyAMIKWWJOYJQLLI-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.11
Rot. Bonds3

About 6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide

6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide (PubChem CID 171908393) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
PubChem CID171908393
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
SMILESCN(Cc1ccncc1)C(=O)c1cc2cc(Cl)ccc2oc1=O
InChIInChI=1S/C17H13ClN2O3/c1-20(10-11-4-6-19-7-5-11)16(21)14-9-12-8-13(18)2-3-15(12)23-17(14)22/h2-9H,10H2,1H3
InChIKeyAMIKWWJOYJQLLI-UHFFFAOYSA-N
XLogP3.11
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 53016447
N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 18112537
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide
CID 110440706
N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 18115026
5,6-dichloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 43564503
6-chloro-N-(3,4-dichlorophenyl)-2-oxochromene-3-carboxamide
CID 100795015
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 9482674
2-chloro-N-methyl-5-nitro-N-(pyridin-4-ylmethyl)benzamide
CID 43564505
6-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 36933832
5-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 62177619
2-bromo-N-methyl-N-(pyridin-4-ylmethyl)furan-3-carboxamide
CID 106852639
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide (CID 171908393) is 6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide is CN(Cc1ccncc1)C(=O)c1cc2cc(Cl)ccc2oc1=O.
What is the InChIKey of 6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
The InChIKey is AMIKWWJOYJQLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-20(10-11-4-6-19-7-5-11)16(21)14-9-12-8-13(18)2-3-15(12)23-17(14)22/h2-9H,10H2,1H3.
What are the key properties of 6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide?
6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 171908393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).