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

C20H20ClN5O — CID 109257591

IUPACN-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
SMILESCN(CCc1ccncc1)c1ncc(C(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H20ClN5O/c1-26(11-8-15-6-9-22-10-7-15)20-24-13-17(14-25-20)19(27)23-12-16-2-4-18(21)5-3-16/h2-7,9-10,13-14H,8,11-12H2,1H3,(H,23,27)
InChIKeyHVEYGSIWQKVJES-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.13
Rot. Bonds7

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

N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide (PubChem CID 109257591) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
PubChem CID109257591
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
SMILESCN(CCc1ccncc1)c1ncc(C(=O)NCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C20H20ClN5O/c1-26(11-8-15-6-9-22-10-7-15)20-24-13-17(14-25-20)19(27)23-12-16-2-4-18(21)5-3-16/h2-7,9-10,13-14H,8,11-12H2,1H3,(H,23,27)
InChIKeyHVEYGSIWQKVJES-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109259105
N-benzyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109255237
N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109370147
N-[(4-chlorophenyl)methyl]-2-(N-methylanilino)pyrimidine-5-carboxamide
CID 109257611
2-[methyl(2-pyridin-4-ylethyl)amino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109171991
N-(3-chloro-2-methylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260714
N-[(4-methylphenyl)methyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109232504
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
N-(3-chloro-4-methoxyphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260720
N-[(4-methylphenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyridine-4-carboxamide
CID 109169910
N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260693
N-[(4-chlorophenyl)methyl]-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257576

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide (CID 109257591) is N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide is CN(CCc1ccncc1)c1ncc(C(=O)NCc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
The InChIKey is HVEYGSIWQKVJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-26(11-8-15-6-9-22-10-7-15)20-24-13-17(14-25-20)19(27)23-12-16-2-4-18(21)5-3-16/h2-7,9-10,13-14H,8,11-12H2,1H3,(H,23,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109257591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).