(4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine

C25H38N4 — CID 142583861

IUPAC(4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine
SMILESC/C=c1/cnc(NC)c/c1=C/C(C)(C)C1=C(CN2CCCCC2)C(C)C(C)N=C1
InChIInChI=1S/C25H38N4/c1-7-20-15-28-24(26-6)13-21(20)14-25(4,5)23-16-27-19(3)18(2)22(23)17-29-11-9-8-10-12-29/h7,13-16,18-19,26H,8-12,17H2,1-6H3/b20-7-,21-14-
InChIKeyKARFSLYAPDWUIJ-FOOWZXLXSA-N
MW394.61 g/mol
LogP3.62
Rot. Bonds5

About (4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine

(4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine (PubChem CID 142583861) has the molecular formula C25H38N4 and a molecular weight of 394.61 g/mol. Its IUPAC name is (4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine.

Molecular Properties

Compound Name(4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine
PubChem CID142583861
Molecular FormulaC25H38N4
Molecular Weight394.61 g/mol
Exact Mass394.31
IUPAC Name(4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine
SMILESC/C=c1/cnc(NC)c/c1=C/C(C)(C)C1=C(CN2CCCCC2)C(C)C(C)N=C1
InChIInChI=1S/C25H38N4/c1-7-20-15-28-24(26-6)13-21(20)14-25(4,5)23-16-27-19(3)18(2)22(23)17-29-11-9-8-10-12-29/h7,13-16,18-19,26H,8-12,17H2,1-6H3/b20-7-,21-14-
InChIKeyKARFSLYAPDWUIJ-FOOWZXLXSA-N
XLogP3.62
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.61
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine?
The IUPAC name of (4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine (CID 142583861) is (4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine.
What is the SMILES notation for (4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine?
The canonical SMILES for (4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine is C/C=c1/cnc(NC)c/c1=C/C(C)(C)C1=C(CN2CCCCC2)C(C)C(C)N=C1.
What is the InChIKey of (4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine?
The InChIKey is KARFSLYAPDWUIJ-FOOWZXLXSA-N. The full InChI is InChI=1S/C25H38N4/c1-7-20-15-28-24(26-6)13-21(20)14-25(4,5)23-16-27-19(3)18(2)22(23)17-29-11-9-8-10-12-29/h7,13-16,18-19,26H,8-12,17H2,1-6H3/b20-7-,21-14-.
What are the key properties of (4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine?
(4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine has a molecular weight of 394.61 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-4-[2-[2,3-dimethyl-4-(piperidin-1-ylmethyl)-2,3-dihydropyridin-5-yl]-2-methylpropylidene]-5-ethylidene-N-methylpyridin-2-amine is sourced from PubChem (CID 142583861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).