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

C20H13ClN2O3 — CID 5152683

IUPAC3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C20H13ClN2O3/c1-11-9-16(23-19(24)12-5-4-6-13(21)10-12)22-18-14-7-2-3-8-15(14)26-20(25)17(11)18/h2-10H,1H3,(H,22,23,24)
InChIKeyQDEOHWNCYMPRTI-UHFFFAOYSA-N
MW364.79 g/mol
LogP4.56
Rot. Bonds2

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

3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide (PubChem CID 5152683) has the molecular formula C20H13ClN2O3 and a molecular weight of 364.79 g/mol. Its IUPAC name is 3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
PubChem CID5152683
Molecular FormulaC20H13ClN2O3
Molecular Weight364.79 g/mol
Exact Mass364.06
IUPAC Name3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C20H13ClN2O3/c1-11-9-16(23-19(24)12-5-4-6-13(21)10-12)22-18-14-7-2-3-8-15(14)26-20(25)17(11)18/h2-10H,1H3,(H,22,23,24)
InChIKeyQDEOHWNCYMPRTI-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

2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
CID 5190785
5-bromo-2-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
CID 4673919
2,2-dimethyl-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)propanamide
CID 4598501
3-[(3-chlorobenzoyl)amino]-N-(3,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 16817884
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
3-chloro-N-[4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 3322024
3-chloro-N-(4-chloro-2-pyridinyl)benzamide
CID 3011465
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332
3-chloro-N-(2-chloropyrimidin-4-yl)benzamide
CID 116798431
2-(3-chlorobenzoyl)benzo[f]chromen-3-one
CID 42637349
N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1136389
N-[3-(3-chlorophenyl)-4-oxochromen-2-yl]benzamide
CID 4910374

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
The IUPAC name of 3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide (CID 5152683) is 3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide.
What is the SMILES notation for 3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
The canonical SMILES for 3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide is Cc1cc(NC(=O)c2cccc(Cl)c2)nc2c1c(=O)oc1ccccc12.
What is the InChIKey of 3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
The InChIKey is QDEOHWNCYMPRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN2O3/c1-11-9-16(23-19(24)12-5-4-6-13(21)10-12)22-18-14-7-2-3-8-15(14)26-20(25)17(11)18/h2-10H,1H3,(H,22,23,24).
What are the key properties of 3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
3-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 3-chloro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 5152683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).