N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide

C19H18N4O — CID 84596527

IUPACN-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(Cc2ccccc2)c2ccccn2)c(C)n1
InChIInChI=1S/C19H18N4O/c1-14-17(12-21-15(2)22-14)19(24)23(18-10-6-7-11-20-18)13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3
InChIKeyYKCBRKPGWUFPMZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.34
Rot. Bonds4

About N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide

N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide (PubChem CID 84596527) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide
PubChem CID84596527
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC NameN-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N(Cc2ccccc2)c2ccccn2)c(C)n1
InChIInChI=1S/C19H18N4O/c1-14-17(12-21-15(2)22-14)19(24)23(18-10-6-7-11-20-18)13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3
InChIKeyYKCBRKPGWUFPMZ-UHFFFAOYSA-N
XLogP3.34
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-oxo-N-pyridin-2-yl-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 3587532
N-[(4-chlorophenyl)methyl]-N-pyridin-2-ylbenzamide
CID 13304853
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
N-benzyl-2-(4-chlorophenyl)-N-pyridin-2-ylacetamide
CID 748517
N-[[4-(dimethylamino)phenyl]methyl]-N-pyridin-2-ylnaphthalene-1-carboxamide
CID 35574860
N-benzyl-2-methoxy-N-pyridin-2-ylacetamide
CID 798237
N-benzyl-2-methoxy-4-methylsulfanyl-N-pyridin-2-ylbenzamide
CID 1124076
N-[(4-tert-butylphenyl)methyl]-2,4-dichloro-N-pyridin-2-ylbenzamide
CID 139583068
N-benzyl-3,5,6-trimethyl-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 18830949
N-benzyl-4-chloro-2-methyl-N-pyridin-2-yl-1H-pyrazol-2-ium-5-carboxamide
CID 5069932
N-benzyl-6-ethoxy-N-pyridin-2-ylpyrimidine-4-carboxamide
CID 121167614
N-[(4-phenylmethoxyphenyl)methyl]-N-pyridin-2-ylfuran-2-carboxamide
CID 35574865

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide (CID 84596527) is N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide is Cc1ncc(C(=O)N(Cc2ccccc2)c2ccccn2)c(C)n1.
What is the InChIKey of N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide?
The InChIKey is YKCBRKPGWUFPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-14-17(12-21-15(2)22-14)19(24)23(18-10-6-7-11-20-18)13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3.
What are the key properties of N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide?
N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dimethyl-N-pyridin-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 84596527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).