5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide

C24H31N3O3S — CID 45203643

IUPAC5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O
InChIInChI=1S/C24H31N3O3S/c1-16(12-17-10-11-31-15-17)25-23(29)20-13-27(19-8-9-19)14-21(22(20)28)24(30)26-18-6-4-2-3-5-7-18/h10-11,13-16,18-19H,2-9,12H2,1H3,(H,25,29)(H,26,30)
InChIKeyLSYAGYUEGQDQDD-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.06
Rot. Bonds7

About 5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide

5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide (PubChem CID 45203643) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide
PubChem CID45203643
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O
InChIInChI=1S/C24H31N3O3S/c1-16(12-17-10-11-31-15-17)25-23(29)20-13-27(19-8-9-19)14-21(22(20)28)24(30)26-18-6-4-2-3-5-7-18/h10-11,13-16,18-19H,2-9,12H2,1H3,(H,25,29)(H,26,30)
InChIKeyLSYAGYUEGQDQDD-UHFFFAOYSA-N
XLogP4.06
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)-N-[(2R)-1-thiophen-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 26322269
1-N-cyclopropyl-4-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,4-dicarboxamide
CID 75390351
5-(azepane-1-carbonyl)-1-(2-methylpropyl)-4-oxo-N-[(2R)-1-thiophen-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 26397027
1-cyclohexyl-N-[(2S)-1-thiophen-3-ylpropan-2-yl]triazole-4-carboxamide
CID 95722766
3-N-tert-butyl-4-oxo-1-propan-2-yl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide
CID 45199983
N-cyclopentyl-2-(1-thiophen-3-ylpropan-2-ylamino)acetamide
CID 54953333
5-N-cyclooctyl-1-(2-methylpropyl)-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
CID 26363662
3-N-cycloheptyl-1-cyclopropyl-5-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3,5-dicarboxamide
CID 42540450
5-N-cyclooctyl-1-(2-methoxyethyl)-3-N-methyl-4-oxo-3-N-(thiophen-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 26345495
1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 45231742
5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26343862
N-cyclohexyl-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42499907

Frequently Asked Questions

What is the IUPAC name of 5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide (CID 45203643) is 5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide is CC(Cc1ccsc1)NC(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O.
What is the InChIKey of 5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide?
The InChIKey is LSYAGYUEGQDQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-16(12-17-10-11-31-15-17)25-23(29)20-13-27(19-8-9-19)14-21(22(20)28)24(30)26-18-6-4-2-3-5-7-18/h10-11,13-16,18-19H,2-9,12H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide?
5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide has a molecular weight of 441.60 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cycloheptyl-1-cyclopropyl-4-oxo-3-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 45203643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).