4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane

C25H33ClN4O — CID 142467341

IUPAC4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane
SMILESCC.CC.CN1CCC(NC(=O)c2ccc(-c3cc(Cl)c4cnccc4n3)cc2)CC1
InChIInChI=1S/C21H21ClN4O.2C2H6/c1-26-10-7-16(8-11-26)24-21(27)15-4-2-14(3-5-15)20-12-18(22)17-13-23-9-6-19(17)25-20;2*1-2/h2-6,9,12-13,16H,7-8,10-11H2,1H3,(H,24,27);2*1-2H3
InChIKeyLGFBGZPUNIEWCK-UHFFFAOYSA-N
MW441.02 g/mol
LogP5.83
Rot. Bonds3

About 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane

4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane (PubChem CID 142467341) has the molecular formula C25H33ClN4O and a molecular weight of 441.02 g/mol. Its IUPAC name is 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane.

Molecular Properties

Compound Name4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane
PubChem CID142467341
Molecular FormulaC25H33ClN4O
Molecular Weight441.02 g/mol
Exact Mass440.23
IUPAC Name4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane
SMILESCC.CC.CN1CCC(NC(=O)c2ccc(-c3cc(Cl)c4cnccc4n3)cc2)CC1
InChIInChI=1S/C21H21ClN4O.2C2H6/c1-26-10-7-16(8-11-26)24-21(27)15-4-2-14(3-5-15)20-12-18(22)17-13-23-9-6-19(17)25-20;2*1-2/h2-6,9,12-13,16H,7-8,10-11H2,1H3,(H,24,27);2*1-2H3
InChIKeyLGFBGZPUNIEWCK-UHFFFAOYSA-N
XLogP5.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.02
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

AV-608
CID 9917079
4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-fluorobenzamide
CID 6473490
N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-1-methyl-1H-indole-3-carboxamide
CID 11168014
N-(2-aminophenyl)-4-(3-chloro-5-{[4-(propan-2-yl)piperazin-1-yl]methyl}pyridin-2-yl)benzamide
CID 11597868
n-(2-Aminophenyl)-4-{3-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl}benzamide
CID 11712071
(4-Chlorophenyl)-[4-(7-chloro-4-quinolinyl)-1-piperazinyl]methanone
CID 1251584
N,N-diethyl-4-(1-piperazinyl(8-quinolinyl)methyl)benzamide
CID 9801260
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 11654739
4-(4-chlorophenyl)-N-[3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436055
4-(4-chlorophenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436066

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane?
The IUPAC name of 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane (CID 142467341) is 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane.
What is the SMILES notation for 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane?
The canonical SMILES for 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane is CC.CC.CN1CCC(NC(=O)c2ccc(-c3cc(Cl)c4cnccc4n3)cc2)CC1.
What is the InChIKey of 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane?
The InChIKey is LGFBGZPUNIEWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O.2C2H6/c1-26-10-7-16(8-11-26)24-21(27)15-4-2-14(3-5-15)20-12-18(22)17-13-23-9-6-19(17)25-20;2*1-2/h2-6,9,12-13,16H,7-8,10-11H2,1H3,(H,24,27);2*1-2H3.
What are the key properties of 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane?
4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane has a molecular weight of 441.02 g/mol, XLogP of 5.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1,6-naphthyridin-2-yl)-N-(1-methylpiperidin-4-yl)benzamide;ethane is sourced from PubChem (CID 142467341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).