N-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine

C24H38N4 — CID 166887415

IUPACN-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine
SMILESCCCC1=C(Nc2ccn(C)/c(=N\CC)c2)NCC(C(C)C2CCCCC2)=C1
InChIInChI=1S/C24H38N4/c1-5-10-20-15-21(18(3)19-11-8-7-9-12-19)17-26-24(20)27-22-13-14-28(4)23(16-22)25-6-2/h13-16,18-19,26-27H,5-12,17H2,1-4H3/b25-23-
InChIKeyWICNUKRZNFELDV-BZZOAKBMSA-N
MW382.60 g/mol
LogP5.12
Rot. Bonds7

About N-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine

N-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine (PubChem CID 166887415) has the molecular formula C24H38N4 and a molecular weight of 382.60 g/mol. Its IUPAC name is N-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine
PubChem CID166887415
Molecular FormulaC24H38N4
Molecular Weight382.60 g/mol
Exact Mass382.31
IUPAC NameN-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine
SMILESCCCC1=C(Nc2ccn(C)/c(=N\CC)c2)NCC(C(C)C2CCCCC2)=C1
InChIInChI=1S/C24H38N4/c1-5-10-20-15-21(18(3)19-11-8-7-9-12-19)17-26-24(20)27-22-13-14-28(4)23(16-22)25-6-2/h13-16,18-19,26-27H,5-12,17H2,1-4H3/b25-23-
InChIKeyWICNUKRZNFELDV-BZZOAKBMSA-N
XLogP5.12
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.60
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine?
The IUPAC name of N-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine (CID 166887415) is N-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine.
What is the SMILES notation for N-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine?
The canonical SMILES for N-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine is CCCC1=C(Nc2ccn(C)/c(=N\CC)c2)NCC(C(C)C2CCCCC2)=C1.
What is the InChIKey of N-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine?
The InChIKey is WICNUKRZNFELDV-BZZOAKBMSA-N. The full InChI is InChI=1S/C24H38N4/c1-5-10-20-15-21(18(3)19-11-8-7-9-12-19)17-26-24(20)27-22-13-14-28(4)23(16-22)25-6-2/h13-16,18-19,26-27H,5-12,17H2,1-4H3/b25-23-.
What are the key properties of N-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine?
N-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine has a molecular weight of 382.60 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-cyclohexylethyl)-5-propyl-1,2-dihydropyridin-6-yl]-2-ethylimino-1-methylpyridin-4-amine is sourced from PubChem (CID 166887415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).