1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide

C34H41N3O4 — CID 58940874

IUPAC1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(=O)n(C2CCCC2)c1
InChIInChI=1S/C34H41N3O4/c38-30(22-35-29-21-34(18-8-9-19-34)41-31-15-7-6-14-27(29)31)28(20-24-10-2-1-3-11-24)36-33(40)25-16-17-32(39)37(23-25)26-12-4-5-13-26/h1-3,6-7,10-11,14-17,23,26,28-30,35,38H,4-5,8-9,12-13,18-22H2,(H,36,40)/t28-,29-,30+/m0/s1
InChIKeyCDYIQKZBVQMRKB-OIFRRMEBSA-N
MW555.72 g/mol
LogP5.09
Rot. Bonds9

About 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide

1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide (PubChem CID 58940874) has the molecular formula C34H41N3O4 and a molecular weight of 555.72 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide
PubChem CID58940874
Molecular FormulaC34H41N3O4
Molecular Weight555.72 g/mol
Exact Mass555.31
IUPAC Name1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(=O)n(C2CCCC2)c1
InChIInChI=1S/C34H41N3O4/c38-30(22-35-29-21-34(18-8-9-19-34)41-31-15-7-6-14-27(29)31)28(20-24-10-2-1-3-11-24)36-33(40)25-16-17-32(39)37(23-25)26-12-4-5-13-26/h1-3,6-7,10-11,14-17,23,26,28-30,35,38H,4-5,8-9,12-13,18-22H2,(H,36,40)/t28-,29-,30+/m0/s1
InChIKeyCDYIQKZBVQMRKB-OIFRRMEBSA-N
XLogP5.09
TPSA92.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.72
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide with MolForge

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Related Compounds

1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-propan-2-ylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide
CID 58940888
N-[(2S,3S)-4-[(6-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl)amino]-3-hydroxy-1-phenylbutan-2-yl]furan-3-carboxamide
CID 90254774
N-[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]propanamide
CID 16747233
N-[(2S,3S)-4-[[(4S)-6-bromospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-4-fluoro-3-(2-oxopyrrolidin-1-yl)benzamide
CID 90254908
N-[(2S,3R)-3-hydroxy-4-[[(4S)-6-[(2R)-oxolan-2-yl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-1-phenylbutan-2-yl]acetamide
CID 68696994
2-cyclopentyl-N-[(2S,3S)-4-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-6-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 90254805
N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-6-pyrrolidin-1-ylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
CID 154298823
4-chloro-N-[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 58940858
N-[(2S,3S)-3-hydroxy-1-phenyl-4-[[(4S)-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
CID 67304855
N-[(2S,3S)-4-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-1,2-oxazole-5-carboxamide
CID 90254860
N-[(2S,3R)-4-[[(4S)-6-cyanospiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 154299621
N-[(2S,3R)-4-[[(4S)-6-[(2R)-2-fluoropropyl]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 68698075

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide (CID 58940874) is 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide is O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCCC2)Oc2ccccc21)c1ccc(=O)n(C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide?
The InChIKey is CDYIQKZBVQMRKB-OIFRRMEBSA-N. The full InChI is InChI=1S/C34H41N3O4/c38-30(22-35-29-21-34(18-8-9-19-34)41-31-15-7-6-14-27(29)31)28(20-24-10-2-1-3-11-24)36-33(40)25-16-17-32(39)37(23-25)26-12-4-5-13-26/h1-3,6-7,10-11,14-17,23,26,28-30,35,38H,4-5,8-9,12-13,18-22H2,(H,36,40)/t28-,29-,30+/m0/s1.
What are the key properties of 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide?
1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide has a molecular weight of 555.72 g/mol, XLogP of 5.09, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-[[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]amino]butan-2-yl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 58940874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).