N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide

C30H30N4O2 — CID 3180452

IUPACN-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccncc1)N(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C30H30N4O2/c35-29(32-25-13-7-8-14-25)28(24-17-19-31-20-18-24)34(21-22-9-3-1-4-10-22)30(36)27-16-15-26(33-27)23-11-5-2-6-12-23/h1-6,9-12,15-20,25,28,33H,7-8,13-14,21H2,(H,32,35)
InChIKeyJHHYYAQRLLGMSW-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.52
Rot. Bonds8

About N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide

N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide (PubChem CID 3180452) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide
PubChem CID3180452
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC NameN-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCCC1)C(c1ccncc1)N(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C30H30N4O2/c35-29(32-25-13-7-8-14-25)28(24-17-19-31-20-18-24)34(21-22-9-3-1-4-10-22)30(36)27-16-15-26(33-27)23-11-5-2-6-12-23/h1-6,9-12,15-20,25,28,33H,7-8,13-14,21H2,(H,32,35)
InChIKeyJHHYYAQRLLGMSW-UHFFFAOYSA-N
XLogP5.52
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide (CID 3180452) is N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide is O=C(NC1CCCC1)C(c1ccncc1)N(Cc1ccccc1)C(=O)c1ccc(-c2ccccc2)[nH]1.
What is the InChIKey of N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide?
The InChIKey is JHHYYAQRLLGMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c35-29(32-25-13-7-8-14-25)28(24-17-19-31-20-18-24)34(21-22-9-3-1-4-10-22)30(36)27-16-15-26(33-27)23-11-5-2-6-12-23/h1-6,9-12,15-20,25,28,33H,7-8,13-14,21H2,(H,32,35).
What are the key properties of N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide?
N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide has a molecular weight of 478.60 g/mol, XLogP of 5.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-5-phenyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3180452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).