N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide

C23H36N4O3 — CID 26317253

IUPACN-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide
SMILESCCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CC[C@@H](N(C)C)C2)c1=O
InChIInChI=1S/C23H36N4O3/c1-4-5-12-24-22(29)19-15-27(17-9-7-6-8-10-17)16-20(21(19)28)23(30)26-13-11-18(14-26)25(2)3/h15-18H,4-14H2,1-3H3,(H,24,29)/t18-/m1/s1
InChIKeyUONKOPXWKBKQEP-GOSISDBHSA-N
MW416.57 g/mol
LogP2.66
Rot. Bonds7

About N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide

N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide (PubChem CID 26317253) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide
PubChem CID26317253
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC NameN-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide
SMILESCCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CC[C@@H](N(C)C)C2)c1=O
InChIInChI=1S/C23H36N4O3/c1-4-5-12-24-22(29)19-15-27(17-9-7-6-8-10-17)16-20(21(19)28)23(30)26-13-11-18(14-26)25(2)3/h15-18H,4-14H2,1-3H3,(H,24,29)/t18-/m1/s1
InChIKeyUONKOPXWKBKQEP-GOSISDBHSA-N
XLogP2.66
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26282384
1-cyclohexyl-N-cyclopentyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26339108
N-cyclohexyl-1-cyclopentyl-4-oxo-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 42499907
3-N-butyl-1-cyclopentyl-3-N-methyl-5-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 26356747
1-cyclohexyl-5-N-(3-methoxypropyl)-3-N-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42483113
3-N-[(2S)-butan-2-yl]-1-cyclopentyl-5-N-(3-methylsulfanylpropyl)-4-oxopyridine-3,5-dicarboxamide
CID 42499673
5-N-butan-2-yl-3-N-butyl-1-cyclopentyl-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 45224585
ethyl (3S)-1-[5-(cycloheptylcarbamoyl)-1-cyclopropyl-4-oxopyridine-3-carbonyl]piperidine-3-carboxylate
CID 42247794
N-tert-butyl-1-cyclohexyl-5-(4-cyclopentylpiperazine-1-carbonyl)-4-oxopyridine-3-carboxamide
CID 26345811
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-cyclohexyl-4-oxo-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 26348462
1-cyclopentyl-3-N-(3-methylbutyl)-4-oxo-5-N-(3-pyridin-4-ylpropyl)pyridine-3,5-dicarboxamide
CID 26357797
N-butyl-1-(furan-2-ylmethyl)-4-oxo-5-[(3S)-3-phenylpiperidine-1-carbonyl]pyridine-3-carboxamide
CID 42499416

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide?
The IUPAC name of N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide (CID 26317253) is N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide is CCCCNC(=O)c1cn(C2CCCCC2)cc(C(=O)N2CC[C@@H](N(C)C)C2)c1=O.
What is the InChIKey of N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide?
The InChIKey is UONKOPXWKBKQEP-GOSISDBHSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-4-5-12-24-22(29)19-15-27(17-9-7-6-8-10-17)16-20(21(19)28)23(30)26-13-11-18(14-26)25(2)3/h15-18H,4-14H2,1-3H3,(H,24,29)/t18-/m1/s1.
What are the key properties of N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide?
N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide has a molecular weight of 416.57 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-cyclohexyl-5-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 26317253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).