1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide

C7H11IN2O — CID 131698603

IUPAC1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide
SMILESC[NH+]1C=CC=C(C(N)=O)C1.[I-]
InChIInChI=1S/C7H10N2O.HI/c1-9-4-2-3-6(5-9)7(8)10;/h2-4H,5H2,1H3,(H2,8,10);1H
InChIKeyNEOWGASAGUVHGE-UHFFFAOYSA-N
MW266.08 g/mol
LogP-4.56
Rot. Bonds1

About 1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide

1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide (PubChem CID 131698603) has the molecular formula C7H11IN2O and a molecular weight of 266.08 g/mol. Its IUPAC name is 1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide.

Molecular Properties

Compound Name1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide
PubChem CID131698603
Molecular FormulaC7H11IN2O
Molecular Weight266.08 g/mol
Exact Mass265.99
IUPAC Name1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide
SMILESC[NH+]1C=CC=C(C(N)=O)C1.[I-]
InChIInChI=1S/C7H10N2O.HI/c1-9-4-2-3-6(5-9)7(8)10;/h2-4H,5H2,1H3,(H2,8,10);1H
InChIKeyNEOWGASAGUVHGE-UHFFFAOYSA-N
XLogP-4.56
TPSA47.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 5-4.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 152768164
(1E,3Z)-cycloocta-1,3-dien-6-yne-1-carboxamide
CID 155071884
6-chloro-1-methyl-2H-pyridine-3-carboxamide
CID 165394277
1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 154390068
5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide
CID 154345580
1-(1-methylthiophen-1-ium-2-yl)-2H-pyridine-3-carboxamide
CID 172680936
5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide
CID 142783791
2,5,6-trideuterio-1-methyl-2H-pyridine-3-carboxamide
CID 166542377
cyclohepta-1,3,5-triene-1-carboxamide;pyrrolo[2,3-d]azepine
CID 175609678
1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide
CID 175781339
4-methoxycyclohexa-1,3-diene-1-carboxamide
CID 19773130
ethyl cyclopenta-1,3-diene-1-carboxylate
CID 175029931

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide?
The IUPAC name of 1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide (CID 131698603) is 1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide.
What is the SMILES notation for 1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide?
The canonical SMILES for 1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide is C[NH+]1C=CC=C(C(N)=O)C1.[I-].
What is the InChIKey of 1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide?
The InChIKey is NEOWGASAGUVHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.HI/c1-9-4-2-3-6(5-9)7(8)10;/h2-4H,5H2,1H3,(H2,8,10);1H.
What are the key properties of 1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide?
1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide has a molecular weight of 266.08 g/mol, XLogP of -4.56, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide is sourced from PubChem (CID 131698603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).