N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C19H19N5O — CID 109330141

IUPACN,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2ccccc2)nc(NCc2ccncc2)n1
InChIInChI=1S/C19H19N5O/c1-14-12-17(18(25)24(2)16-6-4-3-5-7-16)23-19(22-14)21-13-15-8-10-20-11-9-15/h3-12H,13H2,1-2H3,(H,21,22,23)
InChIKeyOFZFEZHGBXLYQA-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.07
Rot. Bonds5

About N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109330141) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109330141
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2ccccc2)nc(NCc2ccncc2)n1
InChIInChI=1S/C19H19N5O/c1-14-12-17(18(25)24(2)16-6-4-3-5-7-16)23-19(22-14)21-13-15-8-10-20-11-9-15/h3-12H,13H2,1-2H3,(H,21,22,23)
InChIKeyOFZFEZHGBXLYQA-UHFFFAOYSA-N
XLogP3.07
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,6-dimethyl-2-[(3-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109327605
2-[(3,4-dimethoxyphenyl)methylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109331757
2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109326830
2-[2-(4-fluorophenyl)ethylamino]-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109330815
N-methyl-N-phenyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191642
6-methyl-N-propyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109319095
N,6-dimethyl-2-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109334890
1-[4-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109326676
N-[(4-chlorophenyl)methyl]-6-methyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109329026
2-(4-chloro-2-methylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109335319
2-(2,3-dimethylanilino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109335301
6-methyl-N-(4-methylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109330140

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109330141) is N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)c2ccccc2)nc(NCc2ccncc2)n1.
What is the InChIKey of N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is OFZFEZHGBXLYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14-12-17(18(25)24(2)16-6-4-3-5-7-16)23-19(22-14)21-13-15-8-10-20-11-9-15/h3-12H,13H2,1-2H3,(H,21,22,23).
What are the key properties of N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-phenyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).