3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide

C20H31N3O3S — CID 42499673

IUPAC3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCC[C@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NCCCSC)c1=O
InChIInChI=1S/C20H31N3O3S/c1-4-14(2)22-20(26)17-13-23(15-8-5-6-9-15)12-16(18(17)24)19(25)21-10-7-11-27-3/h12-15H,4-11H2,1-3H3,(H,21,25)(H,22,26)/t14-/m0/s1
InChIKeyWYDGNSLIAVNMNC-AWEZNQCLSA-N
MW393.55 g/mol
LogP2.97
Rot. Bonds9

About 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide

3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 42499673) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID42499673
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCC[C@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NCCCSC)c1=O
InChIInChI=1S/C20H31N3O3S/c1-4-14(2)22-20(26)17-13-23(15-8-5-6-9-15)12-16(18(17)24)19(25)21-10-7-11-27-3/h12-15H,4-11H2,1-3H3,(H,21,25)(H,22,26)/t14-/m0/s1
InChIKeyWYDGNSLIAVNMNC-AWEZNQCLSA-N
XLogP2.97
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-N-benzyl-3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxopyridine-3,5-dicarboxamide
CID 26363741
5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 45224585
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-4-oxo-5-N-(thiophen-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 25291228
1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42483113
1-cyclohexyl-3-N-(1-methoxypropan-2-yl)-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 45231742
1-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26282384
1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide
CID 26357797
N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide
CID 26317253
3-N-butyl-1-cyclopentyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26356747
methyl (2S,3S)-2-[[1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carbonyl]amino]-3-methylpentanoate
CID 28785994
3-N-cyclooctyl-5-N-(3-methylsulfanylpropyl)-4-oxo-1-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 45191888
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 45170388

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide (CID 42499673) is 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide is CC[C@H](C)NC(=O)c1cn(C2CCCC2)cc(C(=O)NCCCSC)c1=O.
What is the InChIKey of 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is WYDGNSLIAVNMNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-4-14(2)22-20(26)17-13-23(15-8-5-6-9-15)12-16(18(17)24)19(25)21-10-7-11-27-3/h12-15H,4-11H2,1-3H3,(H,21,25)(H,22,26)/t14-/m0/s1.
What are the key properties of 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide?
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 393.55 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 42499673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).