N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

C30H32N4O2 — CID 159516627

IUPACN-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(Cn2cc(C(=O)NC3CCC3)cc(Cc3ccc(-n4cnc(C)c4)c(C)c3)c2=O)cc1
InChIInChI=1S/C30H32N4O2/c1-20-7-9-23(10-8-20)17-33-18-26(29(35)32-27-5-4-6-27)15-25(30(33)36)14-24-11-12-28(21(2)13-24)34-16-22(3)31-19-34/h7-13,15-16,18-19,27H,4-6,14,17H2,1-3H3,(H,32,35)
InChIKeyMEQLFPZCSDZGMP-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.88
Rot. Bonds7

About N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 159516627) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID159516627
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC NameN-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1ccc(Cn2cc(C(=O)NC3CCC3)cc(Cc3ccc(-n4cnc(C)c4)c(C)c3)c2=O)cc1
InChIInChI=1S/C30H32N4O2/c1-20-7-9-23(10-8-20)17-33-18-26(29(35)32-27-5-4-6-27)15-25(30(33)36)14-24-11-12-28(21(2)13-24)34-16-22(3)31-19-34/h7-13,15-16,18-19,27H,4-6,14,17H2,1-3H3,(H,32,35)
InChIKeyMEQLFPZCSDZGMP-UHFFFAOYSA-N
XLogP4.88
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[1-(4-methylphenyl)ethyl]-6-oxopyridine-3-carboxylate
CID 159516626
5-N-cyclobutyl-1-[(4-methoxy-3-methylphenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 135323934
5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[hydroxy-[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one;bis(5-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[3-methyl-4-(4-methylimidazol-1-yl)benzoyl]pyridin-2-one);N-[(4-methoxyphenyl)methyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 160599214
5-chloro-1-[(1R)-1-(2-fluoro-4-methylphenyl)-2-hydroxyethyl]-3-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridin-2-one
CID 160678101
methyl 1-[1-(4-fluorophenyl)ethyl]-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-6-oxopyridine-3-carboxylate
CID 58217862
6-chloro-2-[(1S)-1-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]pyridazin-3-one
CID 58217721
N-cyclobutyl-4-methylbenzamide
CID 23530676
1-benzyl-5-N-[(1S,3R)-3-hydroxycyclohexyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 135323832
N-cyclohexyl-4,5-difluoro-1-[[4-(4-methylimidazol-1-yl)phenyl]methyl]indole-3-carboxamide
CID 144813167
5-N-cyclopropyl-3-N-methyl-2-oxo-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethyl)pyridine-3,5-dicarboxamide
CID 126648655
N-cyclopentyl-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111456
methyl 1-[(4-fluorophenyl)methyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-6-oxopyridine-3-carboxylate
CID 70271568

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (CID 159516627) is N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is Cc1ccc(Cn2cc(C(=O)NC3CCC3)cc(Cc3ccc(-n4cnc(C)c4)c(C)c3)c2=O)cc1.
What is the InChIKey of N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is MEQLFPZCSDZGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-20-7-9-23(10-8-20)17-33-18-26(29(35)32-27-5-4-6-27)15-25(30(33)36)14-24-11-12-28(21(2)13-24)34-16-22(3)31-19-34/h7-13,15-16,18-19,27H,4-6,14,17H2,1-3H3,(H,32,35).
What are the key properties of N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-5-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methyl]-1-[(4-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 159516627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).