N-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide

C20H27N3O — CID 144928520

IUPACN-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide
SMILESC=C(/C=C\C(=N\C)C1CCCCC1)NC(=O)CCc1ccccn1
InChIInChI=1S/C20H27N3O/c1-16(11-13-19(21-2)17-8-4-3-5-9-17)23-20(24)14-12-18-10-6-7-15-22-18/h6-7,10-11,13,15,17H,1,3-5,8-9,12,14H2,2H3,(H,23,24)/b13-11-,21-19-
InChIKeyBOXHULPVDRGESW-ZPIUPWHUSA-N
MW325.46 g/mol
LogP3.85
Rot. Bonds7

About N-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide

N-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide (PubChem CID 144928520) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide
PubChem CID144928520
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide
SMILESC=C(/C=C\C(=N\C)C1CCCCC1)NC(=O)CCc1ccccn1
InChIInChI=1S/C20H27N3O/c1-16(11-13-19(21-2)17-8-4-3-5-9-17)23-20(24)14-12-18-10-6-7-15-22-18/h6-7,10-11,13,15,17H,1,3-5,8-9,12,14H2,2H3,(H,23,24)/b13-11-,21-19-
InChIKeyBOXHULPVDRGESW-ZPIUPWHUSA-N
XLogP3.85
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide with MolForge

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Related Compounds

N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
N-[2-(cycloheptylamino)ethyl]-3-pyridin-2-ylpropanamide
CID 81485895
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide
CID 111193162
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
1-cyclohexyl-4-pyridin-2-ylbutan-2-one
CID 105089148
1-[2-(hydroxymethyl)azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 116636366
N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide
CID 143316373
2-[(3-pyridin-2-ylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 114289788
1-cyclohexyl-2-methyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 110957791
N-(4-hydroxybutan-2-yl)-3-pyridin-2-ylpropanamide
CID 81043461

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide (CID 144928520) is N-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide is C=C(/C=C\C(=N\C)C1CCCCC1)NC(=O)CCc1ccccn1.
What is the InChIKey of N-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide?
The InChIKey is BOXHULPVDRGESW-ZPIUPWHUSA-N. The full InChI is InChI=1S/C20H27N3O/c1-16(11-13-19(21-2)17-8-4-3-5-9-17)23-20(24)14-12-18-10-6-7-15-22-18/h6-7,10-11,13,15,17H,1,3-5,8-9,12,14H2,2H3,(H,23,24)/b13-11-,21-19-.
What are the key properties of N-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide?
N-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide has a molecular weight of 325.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-cyclohexyl-5-methyliminopenta-1,3-dien-2-yl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 144928520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).