N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide

C19H24ClFN4O — CID 58661550

IUPACN-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCCCc1c(Cl)ncnc1CN(CCC(C)C)C(=O)c1cccc(F)n1
InChIInChI=1S/C19H24ClFN4O/c1-4-6-14-16(22-12-23-18(14)20)11-25(10-9-13(2)3)19(26)15-7-5-8-17(21)24-15/h5,7-8,12-13H,4,6,9-11H2,1-3H3
InChIKeyOLEGCEOBCGMLLS-UHFFFAOYSA-N
MW378.88 g/mol
LogP4.31
Rot. Bonds8

About N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide

N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide (PubChem CID 58661550) has the molecular formula C19H24ClFN4O and a molecular weight of 378.88 g/mol. Its IUPAC name is N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide
PubChem CID58661550
Molecular FormulaC19H24ClFN4O
Molecular Weight378.88 g/mol
Exact Mass378.16
IUPAC NameN-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide
SMILESCCCc1c(Cl)ncnc1CN(CCC(C)C)C(=O)c1cccc(F)n1
InChIInChI=1S/C19H24ClFN4O/c1-4-6-14-16(22-12-23-18(14)20)11-25(10-9-13(2)3)19(26)15-7-5-8-17(21)24-15/h5,7-8,12-13H,4,6,9-11H2,1-3H3
InChIKeyOLEGCEOBCGMLLS-UHFFFAOYSA-N
XLogP4.31
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-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-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide (CID 58661550) is N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide is CCCc1c(Cl)ncnc1CN(CCC(C)C)C(=O)c1cccc(F)n1.
What is the InChIKey of N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide?
The InChIKey is OLEGCEOBCGMLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN4O/c1-4-6-14-16(22-12-23-18(14)20)11-25(10-9-13(2)3)19(26)15-7-5-8-17(21)24-15/h5,7-8,12-13H,4,6,9-11H2,1-3H3.
What are the key properties of N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide?
N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide has a molecular weight of 378.88 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-5-propylpyrimidin-4-yl)methyl]-6-fluoro-N-(3-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 58661550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).