6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine

C23H26ClN5 — CID 156865932

IUPAC6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCC(Nc1cc(-c2ccc(Cl)cc2)nc(-c2cccnc2)n1)C1CCN(C)CC1
InChIInChI=1S/C23H26ClN5/c1-16(17-9-12-29(2)13-10-17)26-22-14-21(18-5-7-20(24)8-6-18)27-23(28-22)19-4-3-11-25-15-19/h3-8,11,14-17H,9-10,12-13H2,1-2H3,(H,26,27,28)
InChIKeySQSJVEHEDDHLBA-UHFFFAOYSA-N
MW407.95 g/mol
LogP5.00
Rot. Bonds5

About 6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine

6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 156865932) has the molecular formula C23H26ClN5 and a molecular weight of 407.95 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID156865932
Molecular FormulaC23H26ClN5
Molecular Weight407.95 g/mol
Exact Mass407.19
IUPAC Name6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
SMILESCC(Nc1cc(-c2ccc(Cl)cc2)nc(-c2cccnc2)n1)C1CCN(C)CC1
InChIInChI=1S/C23H26ClN5/c1-16(17-9-12-29(2)13-10-17)26-22-14-21(18-5-7-20(24)8-6-18)27-23(28-22)19-4-3-11-25-15-19/h3-8,11,14-17H,9-10,12-13H2,1-2H3,(H,26,27,28)
InChIKeySQSJVEHEDDHLBA-UHFFFAOYSA-N
XLogP5.00
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.95
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine 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

5-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 175823739
(2R)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]butan-1-ol
CID 156866263
6-(4-chlorophenyl)-N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-2-pyridin-3-ylpyrimidin-4-amine
CID 156866009
4-(4-chlorophenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridin-3-ylpyrimidine
CID 156865958
cis-(1R,2S)-2-[[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]amino]cyclopentan-1-ol
CID 156865946
2-N,4-N-bis(1-cyclopropylethyl)-6-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 123878608
1-[4-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 175823757
6-(4-chlorophenyl)-N-[(3R,4R)-3-fluoropiperidin-4-yl]-2-pyridin-3-ylpyrimidin-4-amine
CID 156866075
1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]-N-methylpiperidin-3-amine
CID 175342252
5-(4-chlorophenyl)-N-(1-methylpiperidin-4-yl)-2-pyridin-3-ylpyrimidin-4-amine
CID 175823724
methyl (2S)-1-[6-(4-chlorophenyl)-2-pyridin-3-ylpyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 156866200
4-(4-chlorophenyl)-6-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
CID 175342188

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine (CID 156865932) is 6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine is CC(Nc1cc(-c2ccc(Cl)cc2)nc(-c2cccnc2)n1)C1CCN(C)CC1.
What is the InChIKey of 6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is SQSJVEHEDDHLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5/c1-16(17-9-12-29(2)13-10-17)26-22-14-21(18-5-7-20(24)8-6-18)27-23(28-22)19-4-3-11-25-15-19/h3-8,11,14-17H,9-10,12-13H2,1-2H3,(H,26,27,28).
What are the key properties of 6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine?
6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 407.95 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-[1-(1-methylpiperidin-4-yl)ethyl]-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 156865932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).