2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide

C30H32N6O2 — CID 146000138

IUPAC2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCC(C)CCC1(c2ccccc2)N=C(N)N(Cc2cc(C(=O)N(C)Cc3ccc(C#N)cc3)ccn2)C1=O
InChIInChI=1S/C30H32N6O2/c1-21(2)13-15-30(25-7-5-4-6-8-25)28(38)36(29(32)34-30)20-26-17-24(14-16-33-26)27(37)35(3)19-23-11-9-22(18-31)10-12-23/h4-12,14,16-17,21H,13,15,19-20H2,1-3H3,(H2,32,34)
InChIKeyQKNYOWIVHNOHQC-UHFFFAOYSA-N
MW508.63 g/mol
LogP4.21
Rot. Bonds9

About 2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide

2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 146000138) has the molecular formula C30H32N6O2 and a molecular weight of 508.63 g/mol. Its IUPAC name is 2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID146000138
Molecular FormulaC30H32N6O2
Molecular Weight508.63 g/mol
Exact Mass508.26
IUPAC Name2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCC(C)CCC1(c2ccccc2)N=C(N)N(Cc2cc(C(=O)N(C)Cc3ccc(C#N)cc3)ccn2)C1=O
InChIInChI=1S/C30H32N6O2/c1-21(2)13-15-30(25-7-5-4-6-8-25)28(38)36(29(32)34-30)20-26-17-24(14-16-33-26)27(37)35(3)19-23-11-9-22(18-31)10-12-23/h4-12,14,16-17,21H,13,15,19-20H2,1-3H3,(H2,32,34)
InChIKeyQKNYOWIVHNOHQC-UHFFFAOYSA-N
XLogP4.21
TPSA115.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.63
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 135163416
5-[[2-amino-4-(2-methylpropyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-2-chloro-N-[(4-cyanophenyl)methyl]-N-methylbenzamide
CID 146000137
3-[(2-amino-5-oxo-4-phenyl-4-propylimidazol-1-yl)methyl]-N-[(5-chloro-2-pyridinyl)methyl]-N-methylbenzamide
CID 142387043
2-amino-3-[[3-(azetidine-1-carbonyl)-4-(trifluoromethyl)phenyl]methyl]-5-(3-methylbutyl)-5-phenylimidazol-4-one
CID 135155583
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-methyl-N-(1-phenylethyl)benzamide
CID 155059056
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 114325571
N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
CID 39861425
(2R)-3-[benzyl(methyl)amino]-2-[(4-cyanophenyl)methyl]-3-oxopropanoic acid
CID 23519941
4-N-benzyl-2-N-(3-cyanophenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086241
2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide
CID 114325943
N-[(4-cyanophenyl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 39858958
N-benzyl-2-iodo-N-methylpyridine-4-carboxamide
CID 141379773

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide (CID 146000138) is 2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide is CC(C)CCC1(c2ccccc2)N=C(N)N(Cc2cc(C(=O)N(C)Cc3ccc(C#N)cc3)ccn2)C1=O.
What is the InChIKey of 2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is QKNYOWIVHNOHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2/c1-21(2)13-15-30(25-7-5-4-6-8-25)28(38)36(29(32)34-30)20-26-17-24(14-16-33-26)27(37)35(3)19-23-11-9-22(18-31)10-12-23/h4-12,14,16-17,21H,13,15,19-20H2,1-3H3,(H2,32,34).
What are the key properties of 2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide?
2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 508.63 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-4-(3-methylbutyl)-5-oxo-4-phenylimidazol-1-yl]methyl]-N-[(4-cyanophenyl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 146000138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).