(E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide

C14H21N3O2 — CID 146098405

IUPAC(E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide
SMILESCOCc1cnccc1CNC(=O)/C=C/CN(C)C
InChIInChI=1S/C14H21N3O2/c1-17(2)8-4-5-14(18)16-10-12-6-7-15-9-13(12)11-19-3/h4-7,9H,8,10-11H2,1-3H3,(H,16,18)/b5-4+
InChIKeySYGIODHFTSIUNV-SNAWJCMRSA-N
MW263.34 g/mol
LogP0.96
Rot. Bonds7

About (E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide

(E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide (PubChem CID 146098405) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide
PubChem CID146098405
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide
SMILESCOCc1cnccc1CNC(=O)/C=C/CN(C)C
InChIInChI=1S/C14H21N3O2/c1-17(2)8-4-5-14(18)16-10-12-6-7-15-9-13(12)11-19-3/h4-7,9H,8,10-11H2,1-3H3,(H,16,18)/b5-4+
InChIKeySYGIODHFTSIUNV-SNAWJCMRSA-N
XLogP0.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]but-2-enamide
CID 112725954
(E)-4-(dimethylamino)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]but-2-enamide
CID 146100901
(E)-4-(dimethylamino)-N-(imidazo[1,5-a]pyridin-6-ylmethyl)but-2-enamide
CID 146097994
(E)-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(dimethylamino)but-2-enamide
CID 146101068
(E)-4-(dimethylamino)-1-[4-(2-methoxyphenyl)-3-pyridinyl]but-2-en-1-one
CID 125499269
1-[[2-(methoxymethyl)phenyl]methyl]-3-(4-methyl-3-pyridinyl)urea
CID 75514282
(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-(methanesulfonamidomethyl)phenyl]methyl]but-2-enamide
CID 146098051
(E)-4-(dimethylamino)-N-(6-methyl-3-pyridinyl)but-2-enamide
CID 153303846
(E)-4-(dimethylamino)-N-methyl-N-(3-pyridin-3-ylcyclobutyl)but-2-enamide
CID 146076745
3-fluoro-4-(methoxymethyl)pyridine
CID 143620796
N-ethyl-N-methyl-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
CID 114699647

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide (CID 146098405) is (E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide is COCc1cnccc1CNC(=O)/C=C/CN(C)C.
What is the InChIKey of (E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide?
The InChIKey is SYGIODHFTSIUNV-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(2)8-4-5-14(18)16-10-12-6-7-15-9-13(12)11-19-3/h4-7,9H,8,10-11H2,1-3H3,(H,16,18)/b5-4+.
What are the key properties of (E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide?
(E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[[3-(methoxymethyl)-4-pyridinyl]methyl]but-2-enamide is sourced from PubChem (CID 146098405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).