N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide

C29H27FN4O3 — CID 66992702

IUPACN-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2ccccc2C)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O
InChIInChI=1S/C29H27FN4O3/c1-18-6-4-5-7-24(18)26-13-12-25(33-28(36)19(2)31-3)29(37)34(26)17-20-14-22(16-32-15-20)27(35)21-8-10-23(30)11-9-21/h4-16,19,31H,17H2,1-3H3,(H,33,36)
InChIKeyFIUHEVPFLULABH-UHFFFAOYSA-N
MW498.56 g/mol
LogP4.18
Rot. Bonds8

About N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide

N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide (PubChem CID 66992702) has the molecular formula C29H27FN4O3 and a molecular weight of 498.56 g/mol. Its IUPAC name is N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
PubChem CID66992702
Molecular FormulaC29H27FN4O3
Molecular Weight498.56 g/mol
Exact Mass498.21
IUPAC NameN-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2ccccc2C)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O
InChIInChI=1S/C29H27FN4O3/c1-18-6-4-5-7-24(18)26-13-12-25(33-28(36)19(2)31-3)29(37)34(26)17-20-14-22(16-32-15-20)27(35)21-8-10-23(30)11-9-21/h4-16,19,31H,17H2,1-3H3,(H,33,36)
InChIKeyFIUHEVPFLULABH-UHFFFAOYSA-N
XLogP4.18
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.56
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide (CID 66992702) is N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc(-c2ccccc2C)n(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O.
What is the InChIKey of N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?
The InChIKey is FIUHEVPFLULABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN4O3/c1-18-6-4-5-7-24(18)26-13-12-25(33-28(36)19(2)31-3)29(37)34(26)17-20-14-22(16-32-15-20)27(35)21-8-10-23(30)11-9-21/h4-16,19,31H,17H2,1-3H3,(H,33,36).
What are the key properties of N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide?
N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide has a molecular weight of 498.56 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(4-fluorobenzoyl)-3-pyridinyl]methyl]-6-(2-methylphenyl)-2-oxo-3-pyridinyl]-2-(methylamino)propanamide is sourced from PubChem (CID 66992702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).