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

C22H24N4O — CID 109169760

IUPACN-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(N(C)CCc3ccncc3)c2)c1
InChIInChI=1S/C22H24N4O/c1-17-4-3-5-19(14-17)16-25-22(27)20-8-12-24-21(15-20)26(2)13-9-18-6-10-23-11-7-18/h3-8,10-12,14-15H,9,13,16H2,1-2H3,(H,25,27)
InChIKeyQQJUYSAEILXOOJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.39
Rot. Bonds7

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

N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide (PubChem CID 109169760) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
PubChem CID109169760
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2ccnc(N(C)CCc3ccncc3)c2)c1
InChIInChI=1S/C22H24N4O/c1-17-4-3-5-19(14-17)16-25-22(27)20-8-12-24-21(15-20)26(2)13-9-18-6-10-23-11-7-18/h3-8,10-12,14-15H,9,13,16H2,1-2H3,(H,25,27)
InChIKeyQQJUYSAEILXOOJ-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-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169910
N-[(3-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109347162
4-N-methyl-2-N-[(3-methylphenyl)methyl]-4-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109085775
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
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109172598
N'-methyl-N-[(3-methylphenyl)methyl]-N'-(2-pyridin-4-ylethyl)oxamide
CID 108984689
4-N-[3-(dimethylamino)propyl]-2-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083872
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109173191
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
2-hydrazinyl-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 62235984

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide (CID 109169760) is N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide is Cc1cccc(CNC(=O)c2ccnc(N(C)CCc3ccncc3)c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
The InChIKey is QQJUYSAEILXOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-17-4-3-5-19(14-17)16-25-22(27)20-8-12-24-21(15-20)26(2)13-9-18-6-10-23-11-7-18/h3-8,10-12,14-15H,9,13,16H2,1-2H3,(H,25,27).
What are the key properties of N-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide?
N-[(3-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-[(3-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 109169760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).