N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide

C18H25N5O3 — CID 166408736

IUPACN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NC2CCN(c3nc(C)cc(=O)[nH]3)C2)CC1
InChIInChI=1S/C18H25N5O3/c1-3-16(25)22-7-4-13(5-8-22)17(26)20-14-6-9-23(11-14)18-19-12(2)10-15(24)21-18/h3,10,13-14H,1,4-9,11H2,2H3,(H,20,26)(H,19,21,24)
InChIKeyLKLMQERSEQMWFN-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.20
Rot. Bonds4

About N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide

N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 166408736) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID166408736
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)NC2CCN(c3nc(C)cc(=O)[nH]3)C2)CC1
InChIInChI=1S/C18H25N5O3/c1-3-16(25)22-7-4-13(5-8-22)17(26)20-14-6-9-23(11-14)18-19-12(2)10-15(24)21-18/h3,10,13-14H,1,4-9,11H2,2H3,(H,20,26)(H,19,21,24)
InChIKeyLKLMQERSEQMWFN-UHFFFAOYSA-N
XLogP0.20
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide (CID 166408736) is N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)NC2CCN(c3nc(C)cc(=O)[nH]3)C2)CC1.
What is the InChIKey of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is LKLMQERSEQMWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-3-16(25)22-7-4-13(5-8-22)17(26)20-14-6-9-23(11-14)18-19-12(2)10-15(24)21-18/h3,10,13-14H,1,4-9,11H2,2H3,(H,20,26)(H,19,21,24).
What are the key properties of N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide?
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 166408736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).