2-methyl-6-pentoxypyridine-4-carboximidamide

C12H19N3O — CID 114769287

IUPAC2-methyl-6-pentoxypyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(OCCCCC)c1
InChIInChI=1S/C12H19N3O/c1-3-4-5-6-16-11-8-10(12(13)14)7-9(2)15-11/h7-8H,3-6H2,1-2H3,(H3,13,14)
InChIKeyIUEHGCOJHRTJBR-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.24
Rot. Bonds6

About 2-methyl-6-pentoxypyridine-4-carboximidamide

2-methyl-6-pentoxypyridine-4-carboximidamide (PubChem CID 114769287) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-6-pentoxypyridine-4-carboximidamide.

Molecular Properties

Compound Name2-methyl-6-pentoxypyridine-4-carboximidamide
PubChem CID114769287
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methyl-6-pentoxypyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(OCCCCC)c1
InChIInChI=1S/C12H19N3O/c1-3-4-5-6-16-11-8-10(12(13)14)7-9(2)15-11/h7-8H,3-6H2,1-2H3,(H3,13,14)
InChIKeyIUEHGCOJHRTJBR-UHFFFAOYSA-N
XLogP2.24
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.24
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

2-methyl-6-phenylmethoxypyridine-4-carboximidamide
CID 114769208
2-[2-(dimethylamino)-2-methylpropoxy]-6-methylpyridine-4-carboximidamide
CID 114769367
2-(2-ethoxyphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769243
2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide
CID 114769321
2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide
CID 114769335
6-heptoxypyridine-2-carboximidamide
CID 64594210
4-octoxybenzenecarboximidamide
CID 3302492
2-(dipropylamino)-6-methylpyridine-4-carboximidamide
CID 114768837
2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyridine-4-carboximidamide
CID 114769235
2-(ethylamino)-6-methylpyridine-4-carboximidamide
CID 114769014
3-butoxy-5-methoxybenzenecarboximidamide
CID 103567679
2-[ethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768868

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-pentoxypyridine-4-carboximidamide?
The IUPAC name of 2-methyl-6-pentoxypyridine-4-carboximidamide (CID 114769287) is 2-methyl-6-pentoxypyridine-4-carboximidamide.
What is the SMILES notation for 2-methyl-6-pentoxypyridine-4-carboximidamide?
The canonical SMILES for 2-methyl-6-pentoxypyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(OCCCCC)c1.
What is the InChIKey of 2-methyl-6-pentoxypyridine-4-carboximidamide?
The InChIKey is IUEHGCOJHRTJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-4-5-6-16-11-8-10(12(13)14)7-9(2)15-11/h7-8H,3-6H2,1-2H3,(H3,13,14).
What are the key properties of 2-methyl-6-pentoxypyridine-4-carboximidamide?
2-methyl-6-pentoxypyridine-4-carboximidamide has a molecular weight of 221.30 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-pentoxypyridine-4-carboximidamide is sourced from PubChem (CID 114769287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).