N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

C19H19N5O — CID 109368374

IUPACN-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccn2)cc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C19H19N5O/c1-14-23-17(19(25)22-12-15-7-3-2-4-8-15)11-18(24-14)21-13-16-9-5-6-10-20-16/h2-11H,12-13H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyOJVREDJZRJLSQW-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.72
Rot. Bonds6

About N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide

N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109368374) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109368374
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccccn2)cc(C(=O)NCc2ccccc2)n1
InChIInChI=1S/C19H19N5O/c1-14-23-17(19(25)22-12-15-7-3-2-4-8-15)11-18(24-14)21-13-16-9-5-6-10-20-16/h2-11H,12-13H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyOJVREDJZRJLSQW-UHFFFAOYSA-N
XLogP2.72
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109364829
N-benzyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109346632
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370720
N-benzyl-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368361
N-benzyl-6-[(2-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109368366
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370842
N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370811
6-(3,5-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370881
6-(4-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370894
6-(2-tert-butylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370893
N-(2,4-dichlorophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370820
6-(3,4-dimethylanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370880

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109368374) is N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is Cc1nc(NCc2ccccn2)cc(C(=O)NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is OJVREDJZRJLSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-23-17(19(25)22-12-15-7-3-2-4-8-15)11-18(24-14)21-13-16-9-5-6-10-20-16/h2-11H,12-13H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide?
N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109368374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).