N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide

C37H56N4 — CID 91419634

IUPACN'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide
SMILESC=C1CCCN(/C(CCC(C)CC=CC2=CCCC(C)=C2)=N/C(CC(C)CC)=N/C2=CC(C3CC3)=NCC2CC)C1
InChIInChI=1S/C37H56N4/c1-7-27(3)23-36(39-35-24-34(33-18-19-33)38-25-32(35)8-2)40-37(41-21-11-14-30(6)26-41)20-17-28(4)12-9-15-31-16-10-13-29(5)22-31/h9,15-16,22,24,27-28,32-33H,6-8,10-14,17-21,23,25-26H2,1-5H3/b15-9?,39-36+,40-37+
InChIKeyDRMSMYNPEQLMND-BYXVHHDTSA-N
MW556.88 g/mol
LogP9.68
Rot. Bonds12

About N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide

N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide (PubChem CID 91419634) has the molecular formula C37H56N4 and a molecular weight of 556.88 g/mol. Its IUPAC name is N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide.

Molecular Properties

Compound NameN'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide
PubChem CID91419634
Molecular FormulaC37H56N4
Molecular Weight556.88 g/mol
Exact Mass556.45
IUPAC NameN'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide
SMILESC=C1CCCN(/C(CCC(C)CC=CC2=CCCC(C)=C2)=N/C(CC(C)CC)=N/C2=CC(C3CC3)=NCC2CC)C1
InChIInChI=1S/C37H56N4/c1-7-27(3)23-36(39-35-24-34(33-18-19-33)38-25-32(35)8-2)40-37(41-21-11-14-30(6)26-41)20-17-28(4)12-9-15-31-16-10-13-29(5)22-31/h9,15-16,22,24,27-28,32-33H,6-8,10-14,17-21,23,25-26H2,1-5H3/b15-9?,39-36+,40-37+
InChIKeyDRMSMYNPEQLMND-BYXVHHDTSA-N
XLogP9.68
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.88
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7Z)-8-[(1,6-dimethyl-2,3-dihydropyridin-4-ylidene)amino]-N,N,5-trimethyl-6-[2-(5-methylcyclohexa-1,5-dien-1-yl)ethenyl]-3,4,5,6-tetrahydroazocin-2-amine
CID 91539516
(E)-1-[4-cyclobutylidene-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511033
butane;(2E)-1-[7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-9-methyl-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511049
4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine;(Z)-3,4-dimethyloct-4-ene
CID 142511081
(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[4-methylidene-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine
CID 142511096
(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine
CID 142511111
(2E)-1-[4-cyclopropylidene-7-[(2S,6S)-2,6-dimethylpiperidin-4-yl]pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511148
(E)-1-(4-cyclopropylidene-9-methyl-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3-dimethyl-4-methylidenehex-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511150
(2E)-1-[4-cyclopropylidene-7-(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511190
(E)-1-[4-cyclobutylidene-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511334
1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene
CID 142511338
Methane;1-[3-methyl-6-[4-(2-methylpropyl)piperidin-1-yl]-2,3-dihydropyridin-4-yl]ethenamine;molecular hydrogen
CID 142583905

Frequently Asked Questions

What is the IUPAC name of N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide?
The IUPAC name of N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide (CID 91419634) is N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide.
What is the SMILES notation for N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide?
The canonical SMILES for N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide is C=C1CCCN(/C(CCC(C)CC=CC2=CCCC(C)=C2)=N/C(CC(C)CC)=N/C2=CC(C3CC3)=NCC2CC)C1.
What is the InChIKey of N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide?
The InChIKey is DRMSMYNPEQLMND-BYXVHHDTSA-N. The full InChI is InChI=1S/C37H56N4/c1-7-27(3)23-36(39-35-24-34(33-18-19-33)38-25-32(35)8-2)40-37(41-21-11-14-30(6)26-41)20-17-28(4)12-9-15-31-16-10-13-29(5)22-31/h9,15-16,22,24,27-28,32-33H,6-8,10-14,17-21,23,25-26H2,1-5H3/b15-9?,39-36+,40-37+.
What are the key properties of N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide?
N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide has a molecular weight of 556.88 g/mol, XLogP of 9.68, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-cyclopropyl-3-ethyl-2,3-dihydropyridin-4-yl)-3-methyl-N-[4-methyl-7-(5-methylcyclohexa-1,5-dien-1-yl)-1-(3-methylidenepiperidin-1-yl)hept-6-enylidene]pentanimidamide is sourced from PubChem (CID 91419634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).