4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide

C24H33N7O2 — CID 71552535

IUPAC4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(NCCc2ccncc2)nc1NC1CCCC1
InChIInChI=1S/C24H33N7O2/c32-21-7-3-15-31(21)16-4-11-26-23(33)20-17-28-24(27-14-10-18-8-12-25-13-9-18)30-22(20)29-19-5-1-2-6-19/h8-9,12-13,17,19H,1-7,10-11,14-16H2,(H,26,33)(H2,27,28,29,30)
InChIKeyGAAYKHMHVHFOKV-UHFFFAOYSA-N
MW451.58 g/mol
LogP2.62
Rot. Bonds11

About 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide

4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide (PubChem CID 71552535) has the molecular formula C24H33N7O2 and a molecular weight of 451.58 g/mol. Its IUPAC name is 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide
PubChem CID71552535
Molecular FormulaC24H33N7O2
Molecular Weight451.58 g/mol
Exact Mass451.27
IUPAC Name4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(NCCc2ccncc2)nc1NC1CCCC1
InChIInChI=1S/C24H33N7O2/c32-21-7-3-15-31(21)16-4-11-26-23(33)20-17-28-24(27-14-10-18-8-12-25-13-9-18)30-22(20)29-19-5-1-2-6-19/h8-9,12-13,17,19H,1-7,10-11,14-16H2,(H,26,33)(H2,27,28,29,30)
InChIKeyGAAYKHMHVHFOKV-UHFFFAOYSA-N
XLogP2.62
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.58
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide (CID 71552535) is 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc(NCCc2ccncc2)nc1NC1CCCC1.
What is the InChIKey of 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide?
The InChIKey is GAAYKHMHVHFOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2/c32-21-7-3-15-31(21)16-4-11-26-23(33)20-17-28-24(27-14-10-18-8-12-25-13-9-18)30-22(20)29-19-5-1-2-6-19/h8-9,12-13,17,19H,1-7,10-11,14-16H2,(H,26,33)(H2,27,28,29,30).
What are the key properties of 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide?
4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide has a molecular weight of 451.58 g/mol, XLogP of 2.62, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(2-pyridin-4-ylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 71552535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).