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

C22H22N4O2 — CID 109237130

IUPACN-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cncc(N(C)CCc3ccncc3)c2)c1
InChIInChI=1S/C22H22N4O2/c1-16(27)18-4-3-5-20(12-18)25-22(28)19-13-21(15-24-14-19)26(2)11-8-17-6-9-23-10-7-17/h3-7,9-10,12-15H,8,11H2,1-2H3,(H,25,28)
InChIKeyXPPLVCSIHUQXJG-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.61
Rot. Bonds7

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

N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide (PubChem CID 109237130) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
PubChem CID109237130
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cncc(N(C)CCc3ccncc3)c2)c1
InChIInChI=1S/C22H22N4O2/c1-16(27)18-4-3-5-20(12-18)25-22(28)19-13-21(15-24-14-19)26(2)11-8-17-6-9-23-10-7-17/h3-7,9-10,12-15H,8,11H2,1-2H3,(H,25,28)
InChIKeyXPPLVCSIHUQXJG-UHFFFAOYSA-N
XLogP3.61
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(4-methoxyphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237121
5-[methyl(2-pyridin-4-ylethyl)amino]-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109237100
N-(2-ethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237095
methyl 2-[[5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carbonyl]amino]benzoate
CID 109237134
N-(2-methylpropyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224772
N-(3-acetylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026236
N-(3-acetylphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108985626
N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224385
N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109232504
5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide
CID 109237075

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide (CID 109237130) is N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2cncc(N(C)CCc3ccncc3)c2)c1.
What is the InChIKey of N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
The InChIKey is XPPLVCSIHUQXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16(27)18-4-3-5-20(12-18)25-22(28)19-13-21(15-24-14-19)26(2)11-8-17-6-9-23-10-7-17/h3-7,9-10,12-15H,8,11H2,1-2H3,(H,25,28).
What are the key properties of N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide?
N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 109237130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).