N,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

C27H28N4O2S — CID 25294359

IUPACN,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1nc(CN(C)C(=O)c2c(Cc3ccccc3C)n(Cc3ccccn3)c(C)cc2=O)cs1
InChIInChI=1S/C27H28N4O2S/c1-18-9-5-6-10-21(18)14-24-26(27(33)30(4)15-23-17-34-20(3)29-23)25(32)13-19(2)31(24)16-22-11-7-8-12-28-22/h5-13,17H,14-16H2,1-4H3
InChIKeyMHVJMERNRGCRRU-UHFFFAOYSA-N
MW472.61 g/mol
LogP4.54
Rot. Bonds7

About N,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide

N,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 25294359) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is N,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID25294359
Molecular FormulaC27H28N4O2S
Molecular Weight472.61 g/mol
Exact Mass472.19
IUPAC NameN,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1nc(CN(C)C(=O)c2c(Cc3ccccc3C)n(Cc3ccccn3)c(C)cc2=O)cs1
InChIInChI=1S/C27H28N4O2S/c1-18-9-5-6-10-21(18)14-24-26(27(33)30(4)15-23-17-34-20(3)29-23)25(32)13-19(2)31(24)16-22-11-7-8-12-28-22/h5-13,17H,14-16H2,1-4H3
InChIKeyMHVJMERNRGCRRU-UHFFFAOYSA-N
XLogP4.54
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-[(2-methylphenyl)methyl]-N-(1,2-oxazol-3-ylmethyl)-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42407329
N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(oxolan-2-ylmethyl)-2-(2-phenylethyl)pyridine-3-carboxamide
CID 45246236
6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 45235668
N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 55134622
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
5-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-2-ylpyrazole-4-carboxamide
CID 86853859
1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]indole-2-carboxamide
CID 86852407
3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 107518848
2-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114326394
N-ethyl-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 26337612
N,2,5-trimethyl-1-(pyridin-2-ylmethyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrole-3-carboxamide
CID 78864814
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 65309481

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide (CID 25294359) is N,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is Cc1nc(CN(C)C(=O)c2c(Cc3ccccc3C)n(Cc3ccccn3)c(C)cc2=O)cs1.
What is the InChIKey of N,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is MHVJMERNRGCRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2S/c1-18-9-5-6-10-21(18)14-24-26(27(33)30(4)15-23-17-34-20(3)29-23)25(32)13-19(2)31(24)16-22-11-7-8-12-28-22/h5-13,17H,14-16H2,1-4H3.
What are the key properties of N,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide?
N,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 472.61 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-[(2-methylphenyl)methyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 25294359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).