N-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide

C32H44N4O4 — CID 24742447

IUPACN-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide
SMILESCc1cc(=O)n(C[C@H](C)O)c(C)c1C(=O)N1CC2CN(CCC(NC(=O)C3CCCC3)c3ccccc3)CC2C1
InChIInChI=1S/C32H44N4O4/c1-21-15-29(38)36(16-22(2)37)23(3)30(21)32(40)35-19-26-17-34(18-27(26)20-35)14-13-28(24-9-5-4-6-10-24)33-31(39)25-11-7-8-12-25/h4-6,9-10,15,22,25-28,37H,7-8,11-14,16-20H2,1-3H3,(H,33,39)/t22-,26?,27?,28?/m0/s1
InChIKeyAVSIDDXBLRBVFL-KNVFSLRTSA-N
MW548.73 g/mol
LogP3.29
Rot. Bonds9

About N-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide

N-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide (PubChem CID 24742447) has the molecular formula C32H44N4O4 and a molecular weight of 548.73 g/mol. Its IUPAC name is N-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide
PubChem CID24742447
Molecular FormulaC32H44N4O4
Molecular Weight548.73 g/mol
Exact Mass548.34
IUPAC NameN-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide
SMILESCc1cc(=O)n(C[C@H](C)O)c(C)c1C(=O)N1CC2CN(CCC(NC(=O)C3CCCC3)c3ccccc3)CC2C1
InChIInChI=1S/C32H44N4O4/c1-21-15-29(38)36(16-22(2)37)23(3)30(21)32(40)35-19-26-17-34(18-27(26)20-35)14-13-28(24-9-5-4-6-10-24)33-31(39)25-11-7-8-12-25/h4-6,9-10,15,22,25-28,37H,7-8,11-14,16-20H2,1-3H3,(H,33,39)/t22-,26?,27?,28?/m0/s1
InChIKeyAVSIDDXBLRBVFL-KNVFSLRTSA-N
XLogP3.29
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.73
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide with MolForge

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Related Compounds

N-[3-[(3aS)-5-(4-fluoro-2,6-dimethylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide
CID 91123202
1-(cyclopentanecarbonyl)-N-[(1S)-1-phenyl-3-[5-(1,2,4-trimethyl-6-oxopyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]azetidine-3-carboxamide
CID 140518539
4,4-difluoro-N-[(1S)-1-phenyl-3-[5-(1,2,4-trimethyl-6-oxopyridine-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]propyl]cyclohexane-1-carboxamide
CID 140518550
N-[3-[(3aS)-5-(2-bromo-6-methylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide
CID 11520255
N-[3-[(3aS)-5-(2,4-dimethyl-1-oxidopyridin-1-ium-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide
CID 91351033
(2S)-2-[5-[2-[(3S)-3-(cyclopentanecarbonylamino)-3-phenylpropyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4,6-dimethylpyrimidin-2-yl]oxypropanoic acid
CID 24742528
2-[5-[2-[(3S)-3-(cyclopentanecarbonylamino)-3-phenylpropyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4,6-dimethylpyrimidin-2-yl]oxypropanoic acid
CID 69149817
(2R)-2-[5-[2-[(3S)-3-(cyclopentanecarbonylamino)-3-phenylpropyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4,6-dimethylpyrimidin-2-yl]oxypropanoic acid
CID 24742622
N-[3-[(3aS)-5-(2,4-dimethyl-1-oxidopyridin-1-ium-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide
CID 91089567
N-[3-[(3aS)-5-(2,3-dimethylbenzoyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
CID 11714050
3-hydroxy-N-[3-[5-[6-[(2S)-2-hydroxypropoxy]-2,4-dimethylpyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclobutane-1-carboxamide
CID 90730775
methyl (2R)-2-[5-[2-[3-(cyclopentanecarbonylamino)-3-phenylpropyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]-4,6-dimethylpyrimidin-2-yl]oxy-2-phenylacetate
CID 69150436

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide (CID 24742447) is N-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide is Cc1cc(=O)n(C[C@H](C)O)c(C)c1C(=O)N1CC2CN(CCC(NC(=O)C3CCCC3)c3ccccc3)CC2C1.
What is the InChIKey of N-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide?
The InChIKey is AVSIDDXBLRBVFL-KNVFSLRTSA-N. The full InChI is InChI=1S/C32H44N4O4/c1-21-15-29(38)36(16-22(2)37)23(3)30(21)32(40)35-19-26-17-34(18-27(26)20-35)14-13-28(24-9-5-4-6-10-24)33-31(39)25-11-7-8-12-25/h4-6,9-10,15,22,25-28,37H,7-8,11-14,16-20H2,1-3H3,(H,33,39)/t22-,26?,27?,28?/m0/s1.
What are the key properties of N-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide?
N-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide has a molecular weight of 548.73 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[1-[(2S)-2-hydroxypropyl]-2,4-dimethyl-6-oxopyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide is sourced from PubChem (CID 24742447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).