3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide

C11H15ClN4 — CID 107060380

IUPAC3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)C2CCC2)c1Cl
InChIInChI=1S/C11H15ClN4/c1-16(7-3-2-4-7)11-9(12)8(10(13)14)5-6-15-11/h5-7H,2-4H2,1H3,(H3,13,14)
InChIKeyOICMWIPRLGVGIL-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.01
Rot. Bonds3

About 3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide

3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide (PubChem CID 107060380) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide
PubChem CID107060380
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)C2CCC2)c1Cl
InChIInChI=1S/C11H15ClN4/c1-16(7-3-2-4-7)11-9(12)8(10(13)14)5-6-15-11/h5-7H,2-4H2,1H3,(H3,13,14)
InChIKeyOICMWIPRLGVGIL-UHFFFAOYSA-N
XLogP2.01
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.01
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

3-[cyclopentyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513212
3-chloro-2-[cyclobutyl(3-hydroxypropyl)amino]pyridine-4-carboximidamide
CID 107060400
3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide
CID 107060226
3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]pyridine-4-carboximidamide
CID 102740205
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide
CID 107060104
2-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 43267235
2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide
CID 107060364
3-chloro-2-[(1-ethylpiperidin-4-yl)-methylamino]-N'-hydroxypyridine-4-carboximidamide
CID 136739403
2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide
CID 43296742
3-chloro-N'-hydroxy-2-[methyl(oxolan-3-yl)amino]pyridine-4-carboximidamide
CID 137006835
2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 107279116
2-[cyclopentyl(methyl)amino]pyridine-3-carboxamide
CID 67508458

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide (CID 107060380) is 3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(C)C2CCC2)c1Cl.
What is the InChIKey of 3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide?
The InChIKey is OICMWIPRLGVGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-16(7-3-2-4-7)11-9(12)8(10(13)14)5-6-15-11/h5-7H,2-4H2,1H3,(H3,13,14).
What are the key properties of 3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide?
3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide has a molecular weight of 238.72 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 107060380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).