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

C22H24N4O — CID 109232504

IUPACN-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc(N(C)CCc3ccncc3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-17-3-5-19(6-4-17)14-25-22(27)20-13-21(16-24-15-20)26(2)12-9-18-7-10-23-11-8-18/h3-8,10-11,13,15-16H,9,12,14H2,1-2H3,(H,25,27)
InChIKeyRCWFJBXADVDXMD-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.39
Rot. Bonds7

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

N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide (PubChem CID 109232504) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
PubChem CID109232504
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cncc(N(C)CCc3ccncc3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-17-3-5-19(6-4-17)14-25-22(27)20-13-21(16-24-15-20)26(2)12-9-18-7-10-23-11-8-18/h3-8,10-11,13,15-16H,9,12,14H2,1-2H3,(H,25,27)
InChIKeyRCWFJBXADVDXMD-UHFFFAOYSA-N
XLogP3.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224772
N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169910
N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224385
5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide
CID 109237075
5-(4-methylphenyl)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 136514307
5-[benzyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109233157
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259105
3-N-[2-(dimethylamino)ethyl]-5-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109104032
N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237137
N-(4-fluorophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237107
N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237130

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide (CID 109232504) is N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2cncc(N(C)CCc3ccncc3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The InChIKey is RCWFJBXADVDXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-3-5-19(6-4-17)14-25-22(27)20-13-21(16-24-15-20)26(2)12-9-18-7-10-23-11-8-18/h3-8,10-11,13,15-16H,9,12,14H2,1-2H3,(H,25,27).
What are the key properties of N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109232504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).