(E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide

C14H21N3O2 — CID 146098059

IUPAC(E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide
SMILESCOc1cncc(CN(C)C(=O)/C=C/CN(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-16(2)7-5-6-14(18)17(3)11-12-8-13(19-4)10-15-9-12/h5-6,8-10H,7,11H2,1-4H3/b6-5+
InChIKeyPPSVATKLNTUJDX-AATRIKPKSA-N
MW263.34 g/mol
LogP1.17
Rot. Bonds6

About (E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide

(E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide (PubChem CID 146098059) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide
PubChem CID146098059
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide
SMILESCOc1cncc(CN(C)C(=O)/C=C/CN(C)C)c1
InChIInChI=1S/C14H21N3O2/c1-16(2)7-5-6-14(18)17(3)11-12-8-13(19-4)10-15-9-12/h5-6,8-10H,7,11H2,1-4H3/b6-5+
InChIKeyPPSVATKLNTUJDX-AATRIKPKSA-N
XLogP1.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide 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

N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-ynamide
CID 146102156
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770928
2-[(5-methoxy-3-pyridinyl)methyl-methylcarbamoyl]spiro[3.3]heptane-2-carboxylic acid
CID 166275620
4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide
CID 123403461
4-(5-methoxy-3-pyridinyl)butan-2-one
CID 69229885
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7958598
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 9482673
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 34984603
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]prop-2-enamide
CID 2533542
(2R)-2-amino-3-(5-methoxy-3-pyridinyl)propanoic acid
CID 55268885
(E)-3-(2,3-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylprop-2-enamide
CID 39972101
(5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
CID 146111176

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide (CID 146098059) is (E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide is COc1cncc(CN(C)C(=O)/C=C/CN(C)C)c1.
What is the InChIKey of (E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide?
The InChIKey is PPSVATKLNTUJDX-AATRIKPKSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(2)7-5-6-14(18)17(3)11-12-8-13(19-4)10-15-9-12/h5-6,8-10H,7,11H2,1-4H3/b6-5+.
What are the key properties of (E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide?
(E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[(5-methoxy-3-pyridinyl)methyl]-N-methylbut-2-enamide is sourced from PubChem (CID 146098059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).