2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

C23H25N5O — CID 109331252

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCc2ccncc2)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C23H25N5O/c1-17-16-20(22(29)27(2)15-11-18-9-12-24-13-10-18)26-23(25-17)28-14-5-7-19-6-3-4-8-21(19)28/h3-4,6,8-10,12-13,16H,5,7,11,14-15H2,1-2H3
InChIKeyKQKGGNDJNFOZNW-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.58
Rot. Bonds5

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide

2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (PubChem CID 109331252) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
PubChem CID109331252
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(C)CCc2ccncc2)nc(N2CCCc3ccccc32)n1
InChIInChI=1S/C23H25N5O/c1-17-16-20(22(29)27(2)15-11-18-9-12-24-13-10-18)26-23(25-17)28-14-5-7-19-6-3-4-8-21(19)28/h3-4,6,8-10,12-13,16H,5,7,11,14-15H2,1-2H3
InChIKeyKQKGGNDJNFOZNW-UHFFFAOYSA-N
XLogP3.58
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-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-dihydroindol-1-yl)-N,2-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109372331
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109332521
2-(3,4-dihydro-2H-quinolin-1-yl)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319150
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109320696
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328561
4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 112921603
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 109026189
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329190
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109335535
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913500
2-(2,3-dihydroindol-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001520
2-(3,4-dihydro-2H-quinolin-1-yl)-N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
CID 108505672

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide (CID 109331252) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)N(C)CCc2ccncc2)nc(N2CCCc3ccccc32)n1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
The InChIKey is KQKGGNDJNFOZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-17-16-20(22(29)27(2)15-11-18-9-12-24-13-10-18)26-23(25-17)28-14-5-7-19-6-3-4-8-21(19)28/h3-4,6,8-10,12-13,16H,5,7,11,14-15H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109331252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).