N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

C21H21N3O — CID 122137867

IUPACN-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2cncc(C(=O)N(C)CCc3ccccn3)c2)cc1
InChIInChI=1S/C21H21N3O/c1-16-6-8-17(9-7-16)18-13-19(15-22-14-18)21(25)24(2)12-10-20-5-3-4-11-23-20/h3-9,11,13-15H,10,12H2,1-2H3
InChIKeyMCVKUDOSZUZHFV-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.77
Rot. Bonds5

About N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide

N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (PubChem CID 122137867) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
PubChem CID122137867
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC NameN-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESCc1ccc(-c2cncc(C(=O)N(C)CCc3ccccn3)c2)cc1
InChIInChI=1S/C21H21N3O/c1-16-6-8-17(9-7-16)18-13-19(15-22-14-18)21(25)24(2)12-10-20-5-3-4-11-23-20/h3-9,11,13-15H,10,12H2,1-2H3
InChIKeyMCVKUDOSZUZHFV-UHFFFAOYSA-N
XLogP3.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(2-pyridin-2-ylethyl)benzamide
CID 134008705
5,6-dichloro-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 60699347
4-chloro-N-methyl-3-(4-phenylphenyl)-N-(2-pyridin-2-ylethyl)benzamide
CID 58791114
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
6-bromo-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 66463680
5-methyl-N-[[3-[[5-[methyl(2-pyridin-2-ylethyl)carbamoyl]-3-pyridinyl]oxy]phenyl]methyl]pyridine-3-carboxamide
CID 145047362
4-ethoxy-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 56809954
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide;oxalic acid
CID 90483378
3-bromo-4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103707127
3-bromo-4-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 103841475

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide (CID 122137867) is N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is Cc1ccc(-c2cncc(C(=O)N(C)CCc3ccccn3)c2)cc1.
What is the InChIKey of N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is MCVKUDOSZUZHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-16-6-8-17(9-7-16)18-13-19(15-22-14-18)21(25)24(2)12-10-20-5-3-4-11-23-20/h3-9,11,13-15H,10,12H2,1-2H3.
What are the key properties of N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide?
N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-methylphenyl)-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 122137867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).