4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide

C11H19N3O3 — CID 123168175

IUPAC4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide
SMILESC=CCONC1CNC(C(N)=O)C=C1COC
InChIInChI=1S/C11H19N3O3/c1-3-4-17-14-10-6-13-9(11(12)15)5-8(10)7-16-2/h3,5,9-10,13-14H,1,4,6-7H2,2H3,(H2,12,15)
InChIKeyKNQBCZPJHPIGOQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.91
Rot. Bonds7

About 4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide

4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide (PubChem CID 123168175) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide
PubChem CID123168175
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide
SMILESC=CCONC1CNC(C(N)=O)C=C1COC
InChIInChI=1S/C11H19N3O3/c1-3-4-17-14-10-6-13-9(11(12)15)5-8(10)7-16-2/h3,5,9-10,13-14H,1,4,6-7H2,2H3,(H2,12,15)
InChIKeyKNQBCZPJHPIGOQ-UHFFFAOYSA-N
XLogP-0.91
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S,5R)-5-(allyloxyamino)-3,4-dimethyl-1,2,5,6-tetrahydropyridine-2-carboxamide
CID 89851793
(2R,5R)-5-(allyloxyamino)-4-methyl-1,2,5,6-tetrahydropyridine-2-carboxamide
CID 89851806
(2S,5R)-5-(allyloxyamino)-4-(methoxymethyl)-1,2,5,6-tetrahydropyridine-2-carboxamide
CID 89851857
5-Ethyl-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide
CID 89852073
(3R)-5-ethyl-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide
CID 89852074
(R)-5-(allyloxyamino)-3-ethyl-1,2,5,6-tetrahydropyridine-2-carboxamide
CID 89852076
(2S,5R)-5-(allyloxyamino)-3-methyl-1,2,5,6-tetrahydropyridine-2-carboxamide
CID 89852283
(2S,5R)-5-(allyloxyamino)-4-methyl-1,2,5,6-tetrahydropyridine-2-carboxamide
CID 89852356
(3R,6S)-5-ethyl-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide
CID 89863081
(3R,6S)-1,4-dimethyl-3-[methyl(prop-2-enoxy)amino]-3,6-dihydro-2H-pyridine-6-carboxamide
CID 117945266
(3R,6S)-4-methyl-3-[methyl(prop-2-enoxy)amino]-1,2,3,6-tetrahydropyridine-6-carboxamide
CID 117945267
(3R,6S)-4,5-dimethyl-3-[methyl(prop-2-enoxy)amino]-1,2,3,6-tetrahydropyridine-6-carboxamide
CID 117945335

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide?
The IUPAC name of 4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide (CID 123168175) is 4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide is C=CCONC1CNC(C(N)=O)C=C1COC.
What is the InChIKey of 4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide?
The InChIKey is KNQBCZPJHPIGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-3-4-17-14-10-6-13-9(11(12)15)5-8(10)7-16-2/h3,5,9-10,13-14H,1,4,6-7H2,2H3,(H2,12,15).
What are the key properties of 4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide?
4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide has a molecular weight of 241.29 g/mol, XLogP of -0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-3-(prop-2-enoxyamino)-1,2,3,6-tetrahydropyridine-6-carboxamide is sourced from PubChem (CID 123168175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).