2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide

C12H19N3O — CID 82524435

IUPAC2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(C)C)n(CCC)c1=O
InChIInChI=1S/C12H19N3O/c1-4-7-15-10(8(2)3)6-5-9(11(13)14)12(15)16/h5-6,8H,4,7H2,1-3H3,(H3,13,14)
InChIKeyOTNISXQOVBSURW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.67
Rot. Bonds4

About 2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide

2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide (PubChem CID 82524435) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide
PubChem CID82524435
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(C)C)n(CCC)c1=O
InChIInChI=1S/C12H19N3O/c1-4-7-15-10(8(2)3)6-5-9(11(13)14)12(15)16/h5-6,8H,4,7H2,1-3H3,(H3,13,14)
InChIKeyOTNISXQOVBSURW-UHFFFAOYSA-N
XLogP1.67
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-oxo-1-pentyl-6-propan-2-ylpyridine-3-carbohydrazide
CID 82524202
1-ethyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
CID 82518678
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
CID 82522028
2-oxo-1-pentylpyridine-3-carboximidamide
CID 82526707
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboximidamide
CID 82518948
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carboximidamide
CID 82517919
1-methyl-2-oxo-6-(2-propan-2-yloxyphenyl)pyridine-3-carboximidamide
CID 82518694
1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide
CID 82520398
1-cyclopropyl-6-methyl-2-oxopyridine-3-carboximidamide
CID 82525216
1-ethyl-3-(hydroxymethyl)-6-propan-2-ylpyridin-2-one
CID 82524548
3-(2-oxo-1-pentyl-6-propan-2-yl-3-pyridinyl)propanoic acid
CID 82524208
(2R)-3-(4-carbamimidoyl-3-hydroxyphenoxy)-2-methylpropanoic acid
CID 137249466

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide?
The IUPAC name of 2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide (CID 82524435) is 2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide.
What is the SMILES notation for 2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide?
The canonical SMILES for 2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(C)C)n(CCC)c1=O.
What is the InChIKey of 2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide?
The InChIKey is OTNISXQOVBSURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-7-15-10(8(2)3)6-5-9(11(13)14)12(15)16/h5-6,8H,4,7H2,1-3H3,(H3,13,14).
What are the key properties of 2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide?
2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide has a molecular weight of 221.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide is sourced from PubChem (CID 82524435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).