2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide

C21H23N5O — CID 109260609

IUPAC2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)N(C)CCc3ccncc3)cn2)c1C
InChIInChI=1S/C21H23N5O/c1-15-5-4-6-19(16(15)2)25-21-23-13-18(14-24-21)20(27)26(3)12-9-17-7-10-22-11-8-17/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,23,24,25)
InChIKeyPNRMKWIPDFEERN-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.55
Rot. Bonds6

About 2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide

2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide (PubChem CID 109260609) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
PubChem CID109260609
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)N(C)CCc3ccncc3)cn2)c1C
InChIInChI=1S/C21H23N5O/c1-15-5-4-6-19(16(15)2)25-21-23-13-18(14-24-21)20(27)26(3)12-9-17-7-10-22-11-8-17/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,23,24,25)
InChIKeyPNRMKWIPDFEERN-UHFFFAOYSA-N
XLogP3.55
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122689
3-N-(2,3-dimethylphenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106467
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109248668
N-benzyl-2-(2,3-dimethylanilino)-N-ethylpyrimidine-5-carboxamide
CID 109258364
N-butyl-2-(3-chloro-2-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263900
2-(2-methoxyethylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109251520
2-[(2-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109257019
2-[(2-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide
CID 109257493
2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307651
5-(2-ethyl-6-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192888
N-methyl-6-phenyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 110683644
N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109236995

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide (CID 109260609) is 2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide is Cc1cccc(Nc2ncc(C(=O)N(C)CCc3ccncc3)cn2)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide?
The InChIKey is PNRMKWIPDFEERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-5-4-6-19(16(15)2)25-21-23-13-18(14-24-21)20(27)26(3)12-9-17-7-10-22-11-8-17/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,23,24,25).
What are the key properties of 2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide?
2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109260609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).