2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide

C21H21ClN4O — CID 109170941

IUPAC2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccnc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H21ClN4O/c1-26(13-9-16-6-10-23-11-7-16)21(27)18-8-12-24-20(14-18)25-15-17-2-4-19(22)5-3-17/h2-8,10-12,14H,9,13,15H2,1H3,(H,24,25)
InChIKeyPUHZPSYBBKNZNQ-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.06
Rot. Bonds7

About 2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide

2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide (PubChem CID 109170941) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
PubChem CID109170941
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1ccnc(NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H21ClN4O/c1-26(13-9-16-6-10-23-11-7-16)21(27)18-8-12-24-20(14-18)25-15-17-2-4-19(22)5-3-17/h2-8,10-12,14H,9,13,15H2,1H3,(H,24,25)
InChIKeyPUHZPSYBBKNZNQ-UHFFFAOYSA-N
XLogP4.06
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109165736
2-[(4-chlorophenyl)methylamino]-N,N-dipropylpyridine-4-carboxamide
CID 109170952
2-[2-(cyclohexen-1-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109166673
6-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109156607
2-(4-ethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109173135
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 55046834
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888
N-methyl-N-(2-pyridin-4-ylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235639
N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307463
N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109280643
2-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109173085
2-N-[(4-chlorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112892018

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide (CID 109170941) is 2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide is CN(CCc1ccncc1)C(=O)c1ccnc(NCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
The InChIKey is PUHZPSYBBKNZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-26(13-9-16-6-10-23-11-7-16)21(27)18-8-12-24-20(14-18)25-15-17-2-4-19(22)5-3-17/h2-8,10-12,14H,9,13,15H2,1H3,(H,24,25).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide?
2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 109170941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).