[4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone

C25H30N4O — CID 95092504

IUPAC[4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(C)ccc1C
InChIInChI=1S/C25H30N4O/c1-5-19-8-6-7-13-29(19)25(30)21-15-26-24-20(12-11-18(4)27-24)23(21)28-22-14-16(2)9-10-17(22)3/h9-12,14-15,19H,5-8,13H2,1-4H3,(H,26,27,28)/t19-/m0/s1
InChIKeyFGERZMCUAFNBRM-IBGZPJMESA-N
MW402.54 g/mol
LogP5.70
Rot. Bonds4

About [4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone

[4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone (PubChem CID 95092504) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is [4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone
PubChem CID95092504
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name[4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone
SMILESCC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(C)ccc1C
InChIInChI=1S/C25H30N4O/c1-5-19-8-6-7-13-29(19)25(30)21-15-26-24-20(12-11-18(4)27-24)23(21)28-22-14-16(2)9-10-17(22)3/h9-12,14-15,19H,5-8,13H2,1-4H3,(H,26,27,28)/t19-/m0/s1
InChIKeyFGERZMCUAFNBRM-IBGZPJMESA-N
XLogP5.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpiperidin-1-yl)-[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146064028
[4-(2,4-difluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone;hydrochloride
CID 146064031
(2-ethylpiperidin-1-yl)-[4-(2-methoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]methanone;hydrochloride
CID 146064037
[4-(2,5-diethoxyanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 53132265
[2-(2,5-dimethylanilino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109264139
[7-methyl-4-(4-methylanilino)-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064088
[5-(2,5-dimethylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288505
[4-(3-fluoroanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 95092522
[4-(4-iodoanilino)-7-methyl-1,8-naphthyridin-3-yl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 146064100
1-[4-[[7-methyl-3-(2-methylpiperidine-1-carbonyl)-1,8-naphthyridin-4-yl]amino]phenyl]ethanone
CID 53132272
[4-(ethylamino)-6-methyl-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 81235968
ethyl 4-(5-chloro-2-methylanilino)-7-methyl-1,8-naphthyridine-3-carboxylate
CID 19258435

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone?
The IUPAC name of [4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone (CID 95092504) is [4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone.
What is the SMILES notation for [4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone?
The canonical SMILES for [4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone is CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(C)ccc1C.
What is the InChIKey of [4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone?
The InChIKey is FGERZMCUAFNBRM-IBGZPJMESA-N. The full InChI is InChI=1S/C25H30N4O/c1-5-19-8-6-7-13-29(19)25(30)21-15-26-24-20(12-11-18(4)27-24)23(21)28-22-14-16(2)9-10-17(22)3/h9-12,14-15,19H,5-8,13H2,1-4H3,(H,26,27,28)/t19-/m0/s1.
What are the key properties of [4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone?
[4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone has a molecular weight of 402.54 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylanilino)-7-methyl-1,8-naphthyridin-3-yl]-[(2S)-2-ethylpiperidin-1-yl]methanone is sourced from PubChem (CID 95092504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).