(E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide

C19H30N4O — CID 138657690

IUPAC(E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)Nc1ccc(CNC2(C)CCCCC2)nc1
InChIInChI=1S/C19H30N4O/c1-19(11-5-4-6-12-19)21-15-16-9-10-17(14-20-16)22-18(24)8-7-13-23(2)3/h7-10,14,21H,4-6,11-13,15H2,1-3H3,(H,22,24)/b8-7+
InChIKeyYJYLYOGEBICNQV-BQYQJAHWSA-N
MW330.48 g/mol
LogP2.95
Rot. Bonds7

About (E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide

(E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide (PubChem CID 138657690) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide
PubChem CID138657690
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name(E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)Nc1ccc(CNC2(C)CCCCC2)nc1
InChIInChI=1S/C19H30N4O/c1-19(11-5-4-6-12-19)21-15-16-9-10-17(14-20-16)22-18(24)8-7-13-23(2)3/h7-10,14,21H,4-6,11-13,15H2,1-3H3,(H,22,24)/b8-7+
InChIKeyYJYLYOGEBICNQV-BQYQJAHWSA-N
XLogP2.95
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide with MolForge

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Related Compounds

(E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide
CID 153303846
N-cyclohexyl-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
CID 135141538
4-(dimethylamino)-N-phenylbut-2-enamide
CID 72514761
(E)-4-(dimethylamino)-N-(4-ethenylphenyl)but-2-enamide
CID 144832726
4-[4-(dimethylamino)but-2-enoylamino]benzoyl chloride
CID 123561810
(E)-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)-4-(dimethylamino)but-2-enamide
CID 146097875
(E)-4-(dimethylamino)-N-(3-methylphenyl)but-2-enamide
CID 118034064
1-[6-(dimethylamino)-3-pyridinyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936304
5-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[(1S,3R)-3-[[5-ethyl-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]-1-methylcyclohexyl]pyridine-2-carboxamide
CID 118426146
5-[4-(dimethylamino)but-2-enoylamino]pyridine-3-carboxylic acid
CID 138491249
(E)-4-(dimethylamino)-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)but-2-enamide
CID 172614120
N-[6-(diethylamino)-3-pyridinyl]-3-methylbut-2-enamide
CID 47243914

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide (CID 138657690) is (E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide is CN(C)C/C=C/C(=O)Nc1ccc(CNC2(C)CCCCC2)nc1.
What is the InChIKey of (E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide?
The InChIKey is YJYLYOGEBICNQV-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H30N4O/c1-19(11-5-4-6-12-19)21-15-16-9-10-17(14-20-16)22-18(24)8-7-13-23(2)3/h7-10,14,21H,4-6,11-13,15H2,1-3H3,(H,22,24)/b8-7+.
What are the key properties of (E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide?
(E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide has a molecular weight of 330.48 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[6-[[(1-methylcyclohexyl)amino]methyl]-3-pyridinyl]but-2-enamide is sourced from PubChem (CID 138657690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).