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

C18H16ClN5O — CID 109349631

IUPACN-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(NCc2ccccn2)ncn1
InChIInChI=1S/C18H16ClN5O/c1-12-5-6-13(19)8-15(12)24-18(25)16-9-17(23-11-22-16)21-10-14-4-2-3-7-20-14/h2-9,11H,10H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyVGGDJWLZTPRZTJ-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.70
Rot. Bonds5

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

N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109349631) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109349631
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC NameN-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cc(NCc2ccccn2)ncn1
InChIInChI=1S/C18H16ClN5O/c1-12-5-6-13(19)8-15(12)24-18(25)16-9-17(23-11-22-16)21-10-14-4-2-3-7-20-14/h2-9,11H,10H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyVGGDJWLZTPRZTJ-UHFFFAOYSA-N
XLogP3.70
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349686
6-N-(5-chloro-2-methylphenyl)-2-N-(pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098179
N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354221
N-(5-chloro-2-methylphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354447
6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550
N-(5-chloro-2-methylphenyl)-6-[3-(dimethylamino)propylamino]pyrimidine-4-carboxamide
CID 109344781
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370820
N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349642
N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346632
N-(5-chloro-2-methylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358391
N-(2,5-dimethylphenyl)-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347317
6-(benzylamino)-N-(5-chloro-2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109346555

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109349631) is N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cc(NCc2ccccn2)ncn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is VGGDJWLZTPRZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-12-5-6-13(19)8-15(12)24-18(25)16-9-17(23-11-22-16)21-10-14-4-2-3-7-20-14/h2-9,11H,10H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.70, 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-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109349631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).