3-cyclopropylpyridine-4-carboximidamide

C9H11N3 — CID 148650231

IUPAC3-cyclopropylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1C1CC1
InChIInChI=1S/C9H11N3/c10-9(11)7-3-4-12-5-8(7)6-1-2-6/h3-6H,1-2H2,(H3,10,11)
InChIKeyNLTVQENGTCSORY-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.24
Rot. Bonds2

About 3-cyclopropylpyridine-4-carboximidamide

3-cyclopropylpyridine-4-carboximidamide (PubChem CID 148650231) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 3-cyclopropylpyridine-4-carboximidamide.

Molecular Properties

Compound Name3-cyclopropylpyridine-4-carboximidamide
PubChem CID148650231
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name3-cyclopropylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccncc1C1CC1
InChIInChI=1S/C9H11N3/c10-9(11)7-3-4-12-5-8(7)6-1-2-6/h3-6H,1-2H2,(H3,10,11)
InChIKeyNLTVQENGTCSORY-UHFFFAOYSA-N
XLogP1.24
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-formylpyridine-4-carboximidamide
CID 173421409
3-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboximidamide
CID 83228203
3-(3-methoxy-4-methylpiperidin-1-yl)pyridine-4-carboximidamide
CID 102958422
7-fluoroisoquinoline-5-carboximidamide
CID 82573360
3-[methyl(1-methylsulfanylpropan-2-yl)amino]pyridine-4-carboximidamide
CID 112660195
3-(cyclopropylmethoxy)pyridazine-4-carboximidamide
CID 80514099
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine-4-carboximidamide
CID 112587792
3-methoxypyridazine-4-carboximidamide
CID 80514231
3-[cyclopentyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513212
3-(3,4-dimethylcyclohexyl)oxypyridazine-4-carboximidamide
CID 80514220
3-(5-fluoro-2-methylphenoxy)pyridine-4-carboximidamide
CID 102982094
3-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboximidamide
CID 107712652

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylpyridine-4-carboximidamide?
The IUPAC name of 3-cyclopropylpyridine-4-carboximidamide (CID 148650231) is 3-cyclopropylpyridine-4-carboximidamide.
What is the SMILES notation for 3-cyclopropylpyridine-4-carboximidamide?
The canonical SMILES for 3-cyclopropylpyridine-4-carboximidamide is [H]/N=C(\N)c1ccncc1C1CC1.
What is the InChIKey of 3-cyclopropylpyridine-4-carboximidamide?
The InChIKey is NLTVQENGTCSORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c10-9(11)7-3-4-12-5-8(7)6-1-2-6/h3-6H,1-2H2,(H3,10,11).
What are the key properties of 3-cyclopropylpyridine-4-carboximidamide?
3-cyclopropylpyridine-4-carboximidamide has a molecular weight of 161.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylpyridine-4-carboximidamide is sourced from PubChem (CID 148650231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).