N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide

C26H29N3O2 — CID 3179749

IUPACN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
SMILESCc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(-c3ccccc3)[nH]2)c1C
InChIInChI=1S/C26H29N3O2/c1-18-9-8-14-24(19(18)2)29(17-25(30)27-21-12-6-7-13-21)26(31)23-16-15-22(28-23)20-10-4-3-5-11-20/h3-5,8-11,14-16,21,28H,6-7,12-13,17H2,1-2H3,(H,27,30)
InChIKeyAYTDRQRWOVXTAS-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.00
Rot. Bonds6

About N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide

N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 3179749) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
PubChem CID3179749
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
SMILESCc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(-c3ccccc3)[nH]2)c1C
InChIInChI=1S/C26H29N3O2/c1-18-9-8-14-24(19(18)2)29(17-25(30)27-21-12-6-7-13-21)26(31)23-16-15-22(28-23)20-10-4-3-5-11-20/h3-5,8-11,14-16,21,28H,6-7,12-13,17H2,1-2H3,(H,27,30)
InChIKeyAYTDRQRWOVXTAS-UHFFFAOYSA-N
XLogP5.00
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]-5-phenyl-1H-pyrrole-2-carboxamide
CID 1153874
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-6-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide
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N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-fluorophenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 7116610
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CID 700395
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CID 3228296
2-(N-acetyl-2,6-dimethylanilino)-N-cyclohexylacetamide
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N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1153924
N-[(1R)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
CID 25449859
2-(N-acetylanilino)-N-cyclopentylacetamide
CID 113167073
N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-methylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide (CID 3179749) is N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide is Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(-c3ccccc3)[nH]2)c1C.
What is the InChIKey of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide?
The InChIKey is AYTDRQRWOVXTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-18-9-8-14-24(19(18)2)29(17-25(30)27-21-12-6-7-13-21)26(31)23-16-15-22(28-23)20-10-4-3-5-11-20/h3-5,8-11,14-16,21,28H,6-7,12-13,17H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide?
N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-2-oxoethyl]-N-(2,3-dimethylphenyl)-5-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3179749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).