5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide

C22H27ClFN3O2 — CID 75986440

IUPAC5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide
SMILESCCCn1c(C)c(C(=O)NC(c2cccc(F)c2)C2CCC2)c(NC)c(Cl)c1=O
InChIInChI=1S/C22H27ClFN3O2/c1-4-11-27-13(2)17(20(25-3)18(23)22(27)29)21(28)26-19(14-7-5-8-14)15-9-6-10-16(24)12-15/h6,9-10,12,14,19,25H,4-5,7-8,11H2,1-3H3,(H,26,28)
InChIKeyKGIQIOCQSHVMHJ-UHFFFAOYSA-N
MW419.93 g/mol
LogP4.67
Rot. Bonds7

About 5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide

5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide (PubChem CID 75986440) has the molecular formula C22H27ClFN3O2 and a molecular weight of 419.93 g/mol. Its IUPAC name is 5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide
PubChem CID75986440
Molecular FormulaC22H27ClFN3O2
Molecular Weight419.93 g/mol
Exact Mass419.18
IUPAC Name5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide
SMILESCCCn1c(C)c(C(=O)NC(c2cccc(F)c2)C2CCC2)c(NC)c(Cl)c1=O
InChIInChI=1S/C22H27ClFN3O2/c1-4-11-27-13(2)17(20(25-3)18(23)22(27)29)21(28)26-19(14-7-5-8-14)15-9-6-10-16(24)12-15/h6,9-10,12,14,19,25H,4-5,7-8,11H2,1-3H3,(H,26,28)
InChIKeyKGIQIOCQSHVMHJ-UHFFFAOYSA-N
XLogP4.67
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.93
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
CID 53239442
5-bromo-N-[cyclobutyl-(3,5-difluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-propylpyridine-3-carboxamide
CID 75986198
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-1-oxo-2-(propylamino)isoquinoline-4-carboxamide
CID 59253002
N-[cyclobutyl-(3-fluorophenyl)methyl]-4-ethyl-2-methyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 76754906
5-cyano-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-6-oxo-1-(propylamino)pyridine-3-carboxamide
CID 53239443
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4,5-trimethyl-6-oxo-1-phenylpyridine-3-carboxamide
CID 53239447
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2-ethoxy-8-fluoro-3-methyl-1-oxoisoquinoline-4-carboxamide
CID 45111345
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-2-[(2-methylfuran-3-yl)methyl]-1-oxoisoquinoline-4-carboxamide
CID 45376033
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-2,3-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 59253073
5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide
CID 58307480
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-2-(3-morpholin-4-ylpropyl)-1-oxoisoquinoline-4-carboxamide
CID 45111197
5-bromo-N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
CID 53239005

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide (CID 75986440) is 5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide is CCCn1c(C)c(C(=O)NC(c2cccc(F)c2)C2CCC2)c(NC)c(Cl)c1=O.
What is the InChIKey of 5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide?
The InChIKey is KGIQIOCQSHVMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN3O2/c1-4-11-27-13(2)17(20(25-3)18(23)22(27)29)21(28)26-19(14-7-5-8-14)15-9-6-10-16(24)12-15/h6,9-10,12,14,19,25H,4-5,7-8,11H2,1-3H3,(H,26,28).
What are the key properties of 5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide?
5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide has a molecular weight of 419.93 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide is sourced from PubChem (CID 75986440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).