2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide

C20H13ClN2O3 — CID 5190785

IUPAC2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C20H13ClN2O3/c1-11-10-16(23-19(24)12-6-2-4-8-14(12)21)22-18-13-7-3-5-9-15(13)26-20(25)17(11)18/h2-10H,1H3,(H,22,23,24)
InChIKeyDSNJSBGICSPWOS-UHFFFAOYSA-N
MW364.79 g/mol
LogP4.56
Rot. Bonds2

About 2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide

2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide (PubChem CID 5190785) has the molecular formula C20H13ClN2O3 and a molecular weight of 364.79 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
PubChem CID5190785
Molecular FormulaC20H13ClN2O3
Molecular Weight364.79 g/mol
Exact Mass364.06
IUPAC Name2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2Cl)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C20H13ClN2O3/c1-11-10-16(23-19(24)12-6-2-4-8-14(12)21)22-18-13-7-3-5-9-15(13)26-20(25)17(11)18/h2-10H,1H3,(H,22,23,24)
InChIKeyDSNJSBGICSPWOS-UHFFFAOYSA-N
XLogP4.56
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
CID 4673919
3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
CID 5152683
2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide
CID 4598501
2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide
CID 3558784
4-methyl-2-(2-oxochromen-3-yl)chromeno[4,3-b]pyridin-5-one
CID 987607
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
N-(5-methyl-1,2-oxazol-3-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 19154798
2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide
CID 706333
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3915161
2,3-dichloro-N-(2-oxochromen-3-yl)benzamide
CID 4025638
2-chloro-N-isoquinolin-3-ylbenzamide
CID 5237288
N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide
CID 22105775

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide (CID 5190785) is 2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide is Cc1cc(NC(=O)c2ccccc2Cl)nc2c1c(=O)oc1ccccc12.
What is the InChIKey of 2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
The InChIKey is DSNJSBGICSPWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O3/c1-11-10-16(23-19(24)12-6-2-4-8-14(12)21)22-18-13-7-3-5-9-15(13)26-20(25)17(11)18/h2-10H,1H3,(H,22,23,24).
What are the key properties of 2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide has a molecular weight of 364.79 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 5190785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).