N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

C19H18ClN5O — CID 109329925

IUPACN-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2C)nc(NCc2cccnc2)n1
InChIInChI=1S/C19H18ClN5O/c1-12-5-6-15(20)9-16(12)24-18(26)17-8-13(2)23-19(25-17)22-11-14-4-3-7-21-10-14/h3-10H,11H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyRJNUPSHVKSOVEX-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.01
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109329925) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109329925
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC NameN-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(Cl)ccc2C)nc(NCc2cccnc2)n1
InChIInChI=1S/C19H18ClN5O/c1-12-5-6-15(20)9-16(12)24-18(26)17-8-13(2)23-19(25-17)22-11-14-4-3-7-21-10-14/h3-10H,11H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyRJNUPSHVKSOVEX-UHFFFAOYSA-N
XLogP4.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329896
N-(2-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329921
N-tert-butyl-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329884
N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121014
N-(4-bromophenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329932
N-(3-bromophenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329959
6-methyl-N-pentyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329888
6-methyl-2-[(4-methylphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109327787
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371066
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329961
2-[2-(dimethylamino)ethylamino]-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109324862
6-(5-chloro-2-methylanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371146

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (CID 109329925) is N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cc(Cl)ccc2C)nc(NCc2cccnc2)n1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is RJNUPSHVKSOVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-12-5-6-15(20)9-16(12)24-18(26)17-8-13(2)23-19(25-17)22-11-14-4-3-7-21-10-14/h3-10H,11H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109329925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).