N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide

C20H20ClN5O — CID 109351589

IUPACN-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(N(C)CCc2ccncc2)ncn1
InChIInChI=1S/C20H20ClN5O/c1-14-11-16(21)3-4-17(14)25-20(27)18-12-19(24-13-23-18)26(2)10-7-15-5-8-22-9-6-15/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,25,27)
InChIKeyDNTFEANKVJBYCQ-UHFFFAOYSA-N
MW381.87 g/mol
LogP3.76
Rot. Bonds6

About N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide

N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide (PubChem CID 109351589) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
PubChem CID109351589
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC NameN-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(N(C)CCc2ccncc2)ncn1
InChIInChI=1S/C20H20ClN5O/c1-14-11-16(21)3-4-17(14)25-20(27)18-12-19(24-13-23-18)26(2)10-7-15-5-8-22-9-6-15/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,25,27)
InChIKeyDNTFEANKVJBYCQ-UHFFFAOYSA-N
XLogP3.76
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109351580
methyl 3-[[6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carbonyl]amino]benzoate
CID 109351611
N-[(3-methylphenyl)methyl]-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109347162
6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109354637
N-(2,4-dimethylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192968
N-(4-chlorophenyl)-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109372286
N-(4-chloro-2-methylphenyl)-N',2,2-trimethyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108964558
4-N-(4-chloro-2-methylphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087656
N-(2,3-dimethylphenyl)-4-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109214757
N-(3-chloro-4-methylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285110
N-[(4-chlorophenyl)methyl]-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109370147
N-(2,4-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350181

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide (CID 109351589) is N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cc(N(C)CCc2ccncc2)ncn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
The InChIKey is DNTFEANKVJBYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c1-14-11-16(21)3-4-17(14)25-20(27)18-12-19(24-13-23-18)26(2)10-7-15-5-8-22-9-6-15/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,25,27).
What are the key properties of N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109351589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).