N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide

C22H24N6O — CID 109353119

IUPACN-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(N3CCN(c4ccccn4)CC3)ncn2)c1C
InChIInChI=1S/C22H24N6O/c1-16-6-5-7-18(17(16)2)26-22(29)19-14-21(25-15-24-19)28-12-10-27(11-13-28)20-8-3-4-9-23-20/h3-9,14-15H,10-13H2,1-2H3,(H,26,29)
InChIKeyKPJBDKAZNQNSOM-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.07
Rot. Bonds4

About N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide

N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109353119) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109353119
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCc1cccc(NC(=O)c2cc(N3CCN(c4ccccn4)CC3)ncn2)c1C
InChIInChI=1S/C22H24N6O/c1-16-6-5-7-18(17(16)2)26-22(29)19-14-21(25-15-24-19)28-12-10-27(11-13-28)20-8-3-4-9-23-20/h3-9,14-15H,10-13H2,1-2H3,(H,26,29)
InChIKeyKPJBDKAZNQNSOM-UHFFFAOYSA-N
XLogP3.07
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345919
N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112863304
N-[(3-methylphenyl)methyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109347173
N-[3-(dimethylamino)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109344900
N-(2-chlorophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345639
ethyl 4-[6-[(2-chlorophenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352823
N-(2,3-dimethylphenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273787
6-(azepan-1-yl)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109355509
6-(4-acetylpiperazin-1-yl)-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345915
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
N-(2-phenylphenyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91628590
N-(3-acetamidophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345667

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109353119) is N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide is Cc1cccc(NC(=O)c2cc(N3CCN(c4ccccn4)CC3)ncn2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is KPJBDKAZNQNSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-16-6-5-7-18(17(16)2)26-22(29)19-14-21(25-15-24-19)28-12-10-27(11-13-28)20-8-3-4-9-23-20/h3-9,14-15H,10-13H2,1-2H3,(H,26,29).
What are the key properties of N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).