3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide

C27H32N4O3 — CID 25465142

IUPAC3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cn(CCc2ccccn2)cc(C(=O)NCc2ccc(C)cc2)c1=O
InChIInChI=1S/C27H32N4O3/c1-4-5-15-30(3)27(34)24-19-31(16-13-22-8-6-7-14-28-22)18-23(25(24)32)26(33)29-17-21-11-9-20(2)10-12-21/h6-12,14,18-19H,4-5,13,15-17H2,1-3H3,(H,29,33)
InChIKeyLVUPYIKTJTUJEF-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.60
Rot. Bonds10

About 3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide

3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide (PubChem CID 25465142) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
PubChem CID25465142
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
SMILESCCCCN(C)C(=O)c1cn(CCc2ccccn2)cc(C(=O)NCc2ccc(C)cc2)c1=O
InChIInChI=1S/C27H32N4O3/c1-4-5-15-30(3)27(34)24-19-31(16-13-22-8-6-7-14-28-22)18-23(25(24)32)26(33)29-17-21-11-9-20(2)10-12-21/h6-12,14,18-19H,4-5,13,15-17H2,1-3H3,(H,29,33)
InChIKeyLVUPYIKTJTUJEF-UHFFFAOYSA-N
XLogP3.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[(4-methylphenyl)methyl]-4-oxo-5-N-prop-2-enyl-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 118758455
5-N-(cyclopropylmethyl)-3-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 26330809
3-N-(1-methoxybutan-2-yl)-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 45213427
3-[[2-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]benzoyl]-(2-pyridin-2-ylethyl)amino]propanoic acid
CID 69430270
5-methoxycarbonyl-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3-carboxylic acid
CID 75464774
N'-butyl-N'-methyl-N-(pyridin-2-ylmethyl)oxamide
CID 108518361
N-butyl-N-methyl-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258703
5-N-cyclooctyl-3-N-methyl-4-oxo-1-(oxolan-2-ylmethyl)-3-N-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide
CID 45216743
2,2-dimethyl-N-[(4-methylphenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108961962
N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120689
3-N-benzyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 42433369
5-N-methyl-3-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-1-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 42164931

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide (CID 25465142) is 3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide is CCCCN(C)C(=O)c1cn(CCc2ccccn2)cc(C(=O)NCc2ccc(C)cc2)c1=O.
What is the InChIKey of 3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is LVUPYIKTJTUJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-4-5-15-30(3)27(34)24-19-31(16-13-22-8-6-7-14-28-22)18-23(25(24)32)26(33)29-17-21-11-9-20(2)10-12-21/h6-12,14,18-19H,4-5,13,15-17H2,1-3H3,(H,29,33).
What are the key properties of 3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide?
3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 460.58 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-3-N-methyl-5-N-[(4-methylphenyl)methyl]-4-oxo-1-(2-pyridin-2-ylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 25465142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).