2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide

C14H22N4O — CID 55004075

IUPAC2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1N(CCOC)C(C)C1CC1
InChIInChI=1S/C14H22N4O/c1-10(11-5-6-11)18(8-9-19-2)14-12(13(15)16)4-3-7-17-14/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H3,15,16)
InChIKeyFBHPELNZRDUVBH-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.62
Rot. Bonds7

About 2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide

2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide (PubChem CID 55004075) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide
PubChem CID55004075
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1N(CCOC)C(C)C1CC1
InChIInChI=1S/C14H22N4O/c1-10(11-5-6-11)18(8-9-19-2)14-12(13(15)16)4-3-7-17-14/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H3,15,16)
InChIKeyFBHPELNZRDUVBH-UHFFFAOYSA-N
XLogP1.62
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 55004124
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-4-methoxybenzenecarboximidamide
CID 81299918
5-bromo-2-[1-cyclopropylethyl(2-methoxyethyl)amino]benzenecarboximidamide
CID 114892966
2-[ethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 43265878
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 82951921
2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide
CID 61377512
2-[methyl(thiolan-3-yl)amino]pyridine-3-carboximidamide
CID 43296742
2-[2-methoxyethyl(propan-2-yl)amino]-6-methylpyridine-3-carboximidamide
CID 82951585
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 82952199
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboximidamide
CID 55227687
5-chloro-4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 80821177
methyl 2-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]benzoate
CID 115545540

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide?
The IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide (CID 55004075) is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1N(CCOC)C(C)C1CC1.
What is the InChIKey of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide?
The InChIKey is FBHPELNZRDUVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(11-5-6-11)18(8-9-19-2)14-12(13(15)16)4-3-7-17-14/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H3,15,16).
What are the key properties of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide?
2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 55004075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).