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

C20H13FN2O3 — CID 4137748

IUPAC2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2F)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C20H13FN2O3/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)
InChIKeyBZXHNNQBAGEBMR-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.04
Rot. Bonds2

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

2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide (PubChem CID 4137748) has the molecular formula C20H13FN2O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
PubChem CID4137748
Molecular FormulaC20H13FN2O3
Molecular Weight348.33 g/mol
Exact Mass348.09
IUPAC Name2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
SMILESCc1cc(NC(=O)c2ccccc2F)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C20H13FN2O3/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)
InChIKeyBZXHNNQBAGEBMR-UHFFFAOYSA-N
XLogP4.04
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.04
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

4-Methoxy-N-(3-phenyl-isoquinolin-1-yl)-benzamide
CID 10760609
N-(5-oxo-2-propylchromeno[3,4-c]pyridin-4-yl)acetamide
CID 614608
N-(5-bromo-6-methyl-2-pyridinyl)-3-(2-oxo-1-benzopyran-3-yl)benzamide
CID 1258911
N-(2-butyl-5-oxochromeno[3,4-c]pyridin-4-yl)propanamide
CID 2059938
2-(4-methoxyphenyl)-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)acetamide
CID 3558784
5H-[1]Benzopyrano[3,4-c]pyridin-5-one, 4-amino-2-methyl-
CID 659209
7-amino-10,11,12,13-tetrahydrochromeno[4,3-d]cyclohepta[b]pyridin-6(9H)-one
CID 702168
N-[2-(3-methylbutyl)-5-oxo-5H-chromeno[3,4-c]pyridin-4-yl]acetamide
CID 977348
N-(5-bromo-6-methylpyridin-2-yl)-4-(2-oxo-2H-chromen-3-yl)benzamide
CID 1999124
5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 2392552
N-(4-methyl-5-oxo-2-[1]benzopyrano[4,3-b]pyridinyl)-4-(1-pyrrolidinylsulfonyl)benzamide
CID 3236129
3,3-dimethyl-N-(4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl)butanamide
CID 3236750

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide (CID 4137748) is 2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide is Cc1cc(NC(=O)c2ccccc2F)nc2c1c(=O)oc1ccccc12.
What is the InChIKey of 2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
The InChIKey is BZXHNNQBAGEBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3/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-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide?
2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide has a molecular weight of 348.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide is sourced from PubChem (CID 4137748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).