N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

C18H15Cl2N5O — CID 109371066

IUPACN-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2cccnc2)cc(C(=O)Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H15Cl2N5O/c1-11-23-16(18(26)25-15-5-4-13(19)7-14(15)20)8-17(24-11)22-10-12-3-2-6-21-9-12/h2-9H,10H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyWLNJQHGZKXWPNQ-UHFFFAOYSA-N
MW388.26 g/mol
LogP4.35
Rot. Bonds5

About N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide

N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109371066) has the molecular formula C18H15Cl2N5O and a molecular weight of 388.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109371066
Molecular FormulaC18H15Cl2N5O
Molecular Weight388.26 g/mol
Exact Mass387.07
IUPAC NameN-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2cccnc2)cc(C(=O)Nc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H15Cl2N5O/c1-11-23-16(18(26)25-15-5-4-13(19)7-14(15)20)8-17(24-11)22-10-12-3-2-6-21-9-12/h2-9H,10H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyWLNJQHGZKXWPNQ-UHFFFAOYSA-N
XLogP4.35
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371069
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370820
N-(2,4-dichlorophenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191437
2-methyl-N-(4-propan-2-ylphenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371012
N-(4-tert-butylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371017
N-(2,4-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157918
6-(benzylamino)-N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368304
N-(3-acetylphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371046
6-(5-chloro-2-methylanilino)-2-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109371146
N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371042
N-(5-chloro-2-methylphenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329925
N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121014

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide (CID 109371066) is N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is Cc1nc(NCc2cccnc2)cc(C(=O)Nc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is WLNJQHGZKXWPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O/c1-11-23-16(18(26)25-15-5-4-13(19)7-14(15)20)8-17(24-11)22-10-12-3-2-6-21-9-12/h2-9H,10H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide?
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 388.26 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109371066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).