N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

C24H21N3O5S — CID 3236129

IUPACN-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C24H21N3O5S/c1-15-14-20(25-22-18-6-2-3-7-19(18)32-24(29)21(15)22)26-23(28)16-8-10-17(11-9-16)33(30,31)27-12-4-5-13-27/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,25,26,28)
InChIKeyJWGJCINPUPMGIM-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.69
Rot. Bonds4

About N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 3236129) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID3236129
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC NameN-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc2c1c(=O)oc1ccccc12
InChIInChI=1S/C24H21N3O5S/c1-15-14-20(25-22-18-6-2-3-7-19(18)32-24(29)21(15)22)26-23(28)16-8-10-17(11-9-16)33(30,31)27-12-4-5-13-27/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,25,26,28)
InChIKeyJWGJCINPUPMGIM-UHFFFAOYSA-N
XLogP3.69
TPSA109.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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CID 614608
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
N-[2-(3-methylbutyl)-5-oxo-5H-chromeno[3,4-c]pyridin-4-yl]acetamide
CID 977348
3,3-dimethyl-N-(4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl)butanamide
CID 3236750
N-(4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl)pentanamide
CID 3241673
N-(4-methyl-5-oxo-5H-chromeno[4,3-b]pyridin-2-yl)cyclohexanecarboxamide
CID 3242274
N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-morpholin-4-ylsulfonylbenzamide
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2-fluoro-N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)benzamide
CID 4137748
N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-(3-methylphenyl)acetamide
CID 4146378
N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-2-phenylacetamide
CID 4462518
N-(2-isobutyl-5-oxo-5H-chromeno[3,4-c]pyridin-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 3236129) is N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc2c1c(=O)oc1ccccc12.
What is the InChIKey of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is JWGJCINPUPMGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-15-14-20(25-22-18-6-2-3-7-19(18)32-24(29)21(15)22)26-23(28)16-8-10-17(11-9-16)33(30,31)27-12-4-5-13-27/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,25,26,28).
What are the key properties of N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 463.52 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-oxochromeno[4,3-b]pyridin-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 3236129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).