3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide

C28H36N4O3 — CID 42246750

IUPAC3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide
SMILESO=C(NCC1CCCCC1)c1cn(C2CC2)cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1=O
InChIInChI=1S/C28H36N4O3/c33-26-24(27(34)29-15-20-7-3-1-4-8-20)18-32(23-11-12-23)19-25(26)28(35)30-22-13-14-31(17-22)16-21-9-5-2-6-10-21/h2,5-6,9-10,18-20,22-23H,1,3-4,7-8,11-17H2,(H,29,34)(H,30,35)/t22-/m1/s1
InChIKeyQMPQMVIZTKTTIG-JOCHJYFZSA-N
MW476.62 g/mol
LogP3.50
Rot. Bonds8

About 3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide

3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide (PubChem CID 42246750) has the molecular formula C28H36N4O3 and a molecular weight of 476.62 g/mol. Its IUPAC name is 3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide
PubChem CID42246750
Molecular FormulaC28H36N4O3
Molecular Weight476.62 g/mol
Exact Mass476.28
IUPAC Name3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide
SMILESO=C(NCC1CCCCC1)c1cn(C2CC2)cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1=O
InChIInChI=1S/C28H36N4O3/c33-26-24(27(34)29-15-20-7-3-1-4-8-20)18-32(23-11-12-23)19-25(26)28(35)30-22-13-14-31(17-22)16-21-9-5-2-6-10-21/h2,5-6,9-10,18-20,22-23H,1,3-4,7-8,11-17H2,(H,29,34)(H,30,35)/t22-/m1/s1
InChIKeyQMPQMVIZTKTTIG-JOCHJYFZSA-N
XLogP3.50
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.62
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(1-benzylpyrrolidin-3-yl)-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide
CID 45169086
3-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-cyclopentyl-4-oxo-5-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 26341693
5-N-benzyl-3-N-(1-benzylpyrrolidin-3-yl)-4-oxo-1-propan-2-ylpyridine-3,5-dicarboxamide
CID 45250841
1-(1-benzylpiperidin-4-yl)-3-(cyclopentylmethyl)urea
CID 38887235
5-N-(cyclohexylmethyl)-1-cyclopropyl-3-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxopyridine-3,5-dicarboxamide
CID 45205721
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 120645363
5-N-cycloheptyl-1-cyclopropyl-3-N-[(2R)-2-hydroxy-2-phenylethyl]-3-N-methyl-4-oxopyridine-3,5-dicarboxamide
CID 26343862
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide (CID 42246750) is 3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide is O=C(NCC1CCCCC1)c1cn(C2CC2)cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1=O.
What is the InChIKey of 3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is QMPQMVIZTKTTIG-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H36N4O3/c33-26-24(27(34)29-15-20-7-3-1-4-8-20)18-32(23-11-12-23)19-25(26)28(35)30-22-13-14-31(17-22)16-21-9-5-2-6-10-21/h2,5-6,9-10,18-20,22-23H,1,3-4,7-8,11-17H2,(H,29,34)(H,30,35)/t22-/m1/s1.
What are the key properties of 3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide?
3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 476.62 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3R)-1-benzylpyrrolidin-3-yl]-5-N-(cyclohexylmethyl)-1-cyclopropyl-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 42246750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).