2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide

C12H18N4O — CID 54946566

IUPAC2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CCOC)C2CC2)c1
InChIInChI=1S/C12H18N4O/c1-17-7-6-16(10-2-3-10)11-8-9(12(13)14)4-5-15-11/h4-5,8,10H,2-3,6-7H2,1H3,(H3,13,14)
InChIKeySAEUNNNNINZRCC-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.98
Rot. Bonds6

About 2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide

2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide (PubChem CID 54946566) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide
PubChem CID54946566
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CCOC)C2CC2)c1
InChIInChI=1S/C12H18N4O/c1-17-7-6-16(10-2-3-10)11-8-9(12(13)14)4-5-15-11/h4-5,8,10H,2-3,6-7H2,1H3,(H3,13,14)
InChIKeySAEUNNNNINZRCC-UHFFFAOYSA-N
XLogP0.98
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.98
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-[cyclohexyl(2-hydroxyethyl)amino]pyridine-4-carboximidamide
CID 54994659
2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide
CID 54985064
4-[cyclopropyl(2-methoxyethyl)amino]-3,5-difluorobenzenecarboximidamide
CID 81294570
2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide
CID 55004929
2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide
CID 107399029
2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 54999432
2-[methyl(propyl)amino]pyridine-4-carboximidamide
CID 43271318
2-[cyclopropyl(2-methoxyethyl)amino]-3-methylbenzenecarboximidamide
CID 107110124
4-[cyclopropyl(2-methoxyethyl)amino]-2-(trifluoromethyl)benzenecarboximidamide
CID 61451380
2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
CID 60891190
2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 55226040
2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid
CID 61442819

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide?
The IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide (CID 54946566) is 2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(CCOC)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide?
The InChIKey is SAEUNNNNINZRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-17-7-6-16(10-2-3-10)11-8-9(12(13)14)4-5-15-11/h4-5,8,10H,2-3,6-7H2,1H3,(H3,13,14).
What are the key properties of 2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide?
2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 54946566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).