3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide

C12H19ClN4 — CID 107060104

IUPAC3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CC)CC(C)C)c1Cl
InChIInChI=1S/C12H19ClN4/c1-4-17(7-8(2)3)12-10(13)9(11(14)15)5-6-16-12/h5-6,8H,4,7H2,1-3H3,(H3,14,15)
InChIKeyGNTGIMCUIUVYIS-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.50
Rot. Bonds5

About 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide

3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide (PubChem CID 107060104) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide
PubChem CID107060104
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CC)CC(C)C)c1Cl
InChIInChI=1S/C12H19ClN4/c1-4-17(7-8(2)3)12-10(13)9(11(14)15)5-6-16-12/h5-6,8H,4,7H2,1-3H3,(H3,14,15)
InChIKeyGNTGIMCUIUVYIS-UHFFFAOYSA-N
XLogP2.50
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.50
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-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboxylic acid
CID 107062243
2-[bis(2-ethoxyethyl)amino]-3-chloropyridine-4-carboximidamide
CID 107060364
2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide
CID 61377512
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073
3-chloro-2-[cyclobutyl(methyl)amino]pyridine-4-carboximidamide
CID 107060380
3-chloro-2-(4-ethyl-N-methylanilino)pyridine-4-carboximidamide
CID 107060226
3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide
CID 107060531
4-[ethyl(2-methylpropyl)amino]benzenecarboximidamide
CID 43273777
2-[bis(2-methylpropyl)amino]-5-chlorobenzenecarboximidamide
CID 62494094
2-[ethyl(2-methylpropyl)amino]pyridine-3-carbothioamide
CID 43273948
3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
CID 107060633
2-[ethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 43265878

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide (CID 107060104) is 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(CC)CC(C)C)c1Cl.
What is the InChIKey of 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide?
The InChIKey is GNTGIMCUIUVYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-4-17(7-8(2)3)12-10(13)9(11(14)15)5-6-16-12/h5-6,8H,4,7H2,1-3H3,(H3,14,15).
What are the key properties of 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide?
3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide has a molecular weight of 254.76 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[ethyl(2-methylpropyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 107060104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).