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

C22H28FN3O2 — CID 77400928

IUPACN-[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)cc1=O
InChIInChI=1S/C22H28FN3O2/c1-4-11-26-14(2)20(18(24-3)13-19(26)27)22(28)25-21(15-7-5-8-15)16-9-6-10-17(23)12-16/h6,9-10,12-13,15,21,24H,4-5,7-8,11H2,1-3H3,(H,25,28)
InChIKeyVIRWNRNPWIXQNI-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.02
Rot. Bonds7

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

N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide (PubChem CID 77400928) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide
PubChem CID77400928
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[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)cc1=O
InChIInChI=1S/C22H28FN3O2/c1-4-11-26-14(2)20(18(24-3)13-19(26)27)22(28)25-21(15-7-5-8-15)16-9-6-10-17(23)12-16/h6,9-10,12-13,15,21,24H,4-5,7-8,11H2,1-3H3,(H,25,28)
InChIKeyVIRWNRNPWIXQNI-UHFFFAOYSA-N
XLogP4.02
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide?
The IUPAC name of N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide (CID 77400928) is N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide.
What is the SMILES notation for N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide?
The canonical SMILES for 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)cc1=O.
What is the InChIKey of N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide?
The InChIKey is VIRWNRNPWIXQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-4-11-26-14(2)20(18(24-3)13-19(26)27)22(28)25-21(15-7-5-8-15)16-9-6-10-17(23)12-16/h6,9-10,12-13,15,21,24H,4-5,7-8,11H2,1-3H3,(H,25,28).
What are the key properties of N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide?
N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide has a molecular weight of 385.48 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-(3-fluorophenyl)methyl]-2-methyl-4-(methylamino)-6-oxo-1-propylpyridine-3-carboxamide is sourced from PubChem (CID 77400928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).