2-oxo-1-pentylpyridine-3-carboximidamide

C11H17N3O — CID 82526707

IUPAC2-oxo-1-pentylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccn(CCCCC)c1=O
InChIInChI=1S/C11H17N3O/c1-2-3-4-7-14-8-5-6-9(10(12)13)11(14)15/h5-6,8H,2-4,7H2,1H3,(H3,12,13)
InChIKeyPXBPSOCMVPCPLV-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.32
Rot. Bonds5

About 2-oxo-1-pentylpyridine-3-carboximidamide

2-oxo-1-pentylpyridine-3-carboximidamide (PubChem CID 82526707) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-oxo-1-pentylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-oxo-1-pentylpyridine-3-carboximidamide
PubChem CID82526707
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-oxo-1-pentylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccn(CCCCC)c1=O
InChIInChI=1S/C11H17N3O/c1-2-3-4-7-14-8-5-6-9(10(12)13)11(14)15/h5-6,8H,2-4,7H2,1H3,(H3,12,13)
InChIKeyPXBPSOCMVPCPLV-UHFFFAOYSA-N
XLogP1.32
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-2-oxopyridine-3-carbothioamide
CID 107017794
3-amino-1-pentylpyridin-2-one
CID 62102446
3-iodo-1-pentylpyridin-2-one
CID 79785003
3-bromo-1-dodecylpyridin-2-one
CID 114761270
1-(3-hydroxypropyl)-2-oxopyridine-3-carboxylic acid
CID 22498647
3-amino-1-butylpyridin-2-one
CID 62102283
1-pentyl-3-(sulfanylmethyl)pyridin-2-one
CID 82526701
1-decylpyrrole-2-carboxylic acid
CID 79103270
(3-acetyl-2-oxo-1-pyridinyl)methyl hexanoate
CID 174640675
2-oxo-6-propan-2-yl-1-propylpyridine-3-carboximidamide
CID 82524435
1-pentylpyrrol-2-amine
CID 68716148
1-butyl-3-iodopyridin-2-one
CID 79785091

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-pentylpyridine-3-carboximidamide?
The IUPAC name of 2-oxo-1-pentylpyridine-3-carboximidamide (CID 82526707) is 2-oxo-1-pentylpyridine-3-carboximidamide.
What is the SMILES notation for 2-oxo-1-pentylpyridine-3-carboximidamide?
The canonical SMILES for 2-oxo-1-pentylpyridine-3-carboximidamide is [H]/N=C(\N)c1cccn(CCCCC)c1=O.
What is the InChIKey of 2-oxo-1-pentylpyridine-3-carboximidamide?
The InChIKey is PXBPSOCMVPCPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-3-4-7-14-8-5-6-9(10(12)13)11(14)15/h5-6,8H,2-4,7H2,1H3,(H3,12,13).
What are the key properties of 2-oxo-1-pentylpyridine-3-carboximidamide?
2-oxo-1-pentylpyridine-3-carboximidamide has a molecular weight of 207.28 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-pentylpyridine-3-carboximidamide is sourced from PubChem (CID 82526707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).