2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide

C20H20ClN5O — CID 109257493

IUPAC2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cnc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C20H20ClN5O/c1-26(11-8-15-6-9-22-10-7-15)19(27)17-13-24-20(25-14-17)23-12-16-4-2-3-5-18(16)21/h2-7,9-10,13-14H,8,11-12H2,1H3,(H,23,24,25)
InChIKeyZJWMZGPUVSBXFR-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.45
Rot. Bonds7

About 2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide

2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide (PubChem CID 109257493) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
PubChem CID109257493
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC Name2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cnc(NCc2ccccc2Cl)nc1
InChIInChI=1S/C20H20ClN5O/c1-26(11-8-15-6-9-22-10-7-15)19(27)17-13-24-20(25-14-17)23-12-16-4-2-3-5-18(16)21/h2-7,9-10,13-14H,8,11-12H2,1H3,(H,23,24,25)
InChIKeyZJWMZGPUVSBXFR-UHFFFAOYSA-N
XLogP3.45
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109257019
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109248668
2-(2-methoxyethylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109251520
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
N-benzyl-2-[(2-chlorophenyl)methylamino]-N-ethylpyrimidine-5-carboxamide
CID 109257482
3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106473
N-methyl-6-phenyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 110683644
2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109260609
N-butyl-6-[(2-chlorophenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 109156786
N-methyl-6-(2-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109158205
2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57380747
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide (CID 109257493) is 2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide is CN(CCc1ccncc1)C(=O)c1cnc(NCc2ccccc2Cl)nc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is ZJWMZGPUVSBXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-26(11-8-15-6-9-22-10-7-15)19(27)17-13-24-20(25-14-17)23-12-16-4-2-3-5-18(16)21/h2-7,9-10,13-14H,8,11-12H2,1H3,(H,23,24,25).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide?
2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109257493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).