N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide

C24H27N3O3 — CID 91356775

IUPACN-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(NC2CCCC2)cc1)c1c(O)[nH]c(CCc2ccccc2)c1O
InChIInChI=1S/C24H27N3O3/c28-22-20(15-10-16-6-2-1-3-7-16)27-24(30)21(22)23(29)26-19-13-11-18(12-14-19)25-17-8-4-5-9-17/h1-3,6-7,11-14,17,25,27-28,30H,4-5,8-10,15H2,(H,26,29)
InChIKeyAGJOQRQWAPMSDZ-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.82
Rot. Bonds7

About N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide

N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide (PubChem CID 91356775) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide
PubChem CID91356775
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(NC2CCCC2)cc1)c1c(O)[nH]c(CCc2ccccc2)c1O
InChIInChI=1S/C24H27N3O3/c28-22-20(15-10-16-6-2-1-3-7-16)27-24(30)21(22)23(29)26-19-13-11-18(12-14-19)25-17-8-4-5-9-17/h1-3,6-7,11-14,17,25,27-28,30H,4-5,8-10,15H2,(H,26,29)
InChIKeyAGJOQRQWAPMSDZ-UHFFFAOYSA-N
XLogP4.82
TPSA97.38 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide
CID 136636420
5-(cyclohexylmethyl)-2,4-dihydroxy-N-(4-phenylsulfanylphenyl)-1H-pyrrole-3-carboxamide
CID 90954332
N-[4-(benzenesulfonyl)phenyl]-5-(cyclohexylmethyl)-2,4-dihydroxy-1H-pyrrole-3-carboxamide
CID 91158203
5-(cyclohexylamino)-N-phenylpyridine-2-carboxamide
CID 109183141
5-(cyclopentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109182409
1-[3-(4-fluoroanilino)piperidin-1-yl]-3-phenylpropan-1-one
CID 24791061
[4-(cyclopentylamino)phenyl]urea
CID 43744886
1-N-benzyl-4-N-cyclohexylbenzene-1,4-diamine
CID 154205278
N-[4-(cyclopentylamino)phenyl]-4-methylbenzamide
CID 112980589
N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
CID 112980718
N-[4-[2-[4-(cyclohexylamino)-2H-pyrazolo[4,3-c]pyridin-3-yl]ethyl]phenyl]pyridine-3-carboxamide
CID 59619082
N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide (CID 91356775) is N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide is O=C(Nc1ccc(NC2CCCC2)cc1)c1c(O)[nH]c(CCc2ccccc2)c1O.
What is the InChIKey of N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is AGJOQRQWAPMSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-22-20(15-10-16-6-2-1-3-7-16)27-24(30)21(22)23(29)26-19-13-11-18(12-14-19)25-17-8-4-5-9-17/h1-3,6-7,11-14,17,25,27-28,30H,4-5,8-10,15H2,(H,26,29).
What are the key properties of N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide?
N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.82, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopentylamino)phenyl]-2,4-dihydroxy-5-(2-phenylethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91356775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).