(2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride

C24H29ClN4O2 — CID 146064037

IUPAC(2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
SMILESCCC1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1OC.Cl
InChIInChI=1S/C24H28N4O2.ClH/c1-4-17-9-7-8-14-28(17)24(29)19-15-25-23-18(13-12-16(2)26-23)22(19)27-20-10-5-6-11-21(20)30-3;/h5-6,10-13,15,17H,4,7-9,14H2,1-3H3,(H,25,26,27);1H
InChIKeyVOKNXMQCYBYLMV-UHFFFAOYSA-N
MW440.98 g/mol
LogP5.52
Rot. Bonds5

About (2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride

(2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride (PubChem CID 146064037) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
PubChem CID146064037
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name(2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
SMILESCCC1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1OC.Cl
InChIInChI=1S/C24H28N4O2.ClH/c1-4-17-9-7-8-14-28(17)24(29)19-15-25-23-18(13-12-16(2)26-23)22(19)27-20-10-5-6-11-21(20)30-3;/h5-6,10-13,15,17H,4,7-9,14H2,1-3H3,(H,25,26,27);1H
InChIKeyVOKNXMQCYBYLMV-UHFFFAOYSA-N
XLogP5.52
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.98
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride
CID 146064031
(2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146064028
[4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 95092504
[4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 53132265
[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064088
(2-ethylpiperidin-1-yl)-[6-(2-methoxyanilino)pyrimidin-4-yl]methanone
CID 109354988
[4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064100
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 95092522
1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone
CID 53132272
5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109107451
(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
ethyl 4-(2,4-dimethoxyanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258401

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride?
The IUPAC name of (2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride (CID 146064037) is (2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride is CCC1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1OC.Cl.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride?
The InChIKey is VOKNXMQCYBYLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2.ClH/c1-4-17-9-7-8-14-28(17)24(29)19-15-25-23-18(13-12-16(2)26-23)22(19)27-20-10-5-6-11-21(20)30-3;/h5-6,10-13,15,17H,4,7-9,14H2,1-3H3,(H,25,26,27);1H.
What are the key properties of (2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride?
(2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride has a molecular weight of 440.98 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 146064037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).