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

C22H24N4O — CID 109169910

IUPACN-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(N(C)CCc3ccncc3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-17-3-5-19(6-4-17)16-25-22(27)20-9-13-24-21(15-20)26(2)14-10-18-7-11-23-12-8-18/h3-9,11-13,15H,10,14,16H2,1-2H3,(H,25,27)
InChIKeyUNBIDFYSXBSHHX-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.39
Rot. Bonds7

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

N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide (PubChem CID 109169910) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
PubChem CID109169910
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(N(C)CCc3ccncc3)c2)cc1
InChIInChI=1S/C22H24N4O/c1-17-3-5-19(6-4-17)16-25-22(27)20-9-13-24-21(15-20)26(2)14-10-18-7-11-23-12-8-18/h3-9,11-13,15H,10,14,16H2,1-2H3,(H,25,27)
InChIKeyUNBIDFYSXBSHHX-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

2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171991
N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169760
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109172598
N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109232504
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109173170
N-[2-(3-chlorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109173178
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259105
4-N-[(4-fluorophenyl)methyl]-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109086492
2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62166427
N-[(3-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109347162
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109173218
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109173191

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide (CID 109169910) is N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide is Cc1ccc(CNC(=O)c2ccnc(N(C)CCc3ccncc3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
The InChIKey is UNBIDFYSXBSHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-3-5-19(6-4-17)16-25-22(27)20-9-13-24-21(15-20)26(2)14-10-18-7-11-23-12-8-18/h3-9,11-13,15H,10,14,16H2,1-2H3,(H,25,27).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-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]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 109169910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).