2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide

C18H18N4 — CID 43823181

IUPAC2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1N(CC)c1cccc2ccccc12
InChIInChI=1S/C18H18N4/c1-2-22(18-15(17(19)20)10-6-12-21-18)16-11-5-8-13-7-3-4-9-14(13)16/h3-12H,2H2,1H3,(H3,19,20)
InChIKeyVRTAVDFYXUOPAE-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.68
Rot. Bonds4

About 2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide

2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide (PubChem CID 43823181) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide
PubChem CID43823181
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cccnc1N(CC)c1cccc2ccccc12
InChIInChI=1S/C18H18N4/c1-2-22(18-15(17(19)20)10-6-12-21-18)16-11-5-8-13-7-3-4-9-14(13)16/h3-12H,2H2,1H3,(H3,19,20)
InChIKeyVRTAVDFYXUOPAE-UHFFFAOYSA-N
XLogP3.68
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.68
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'}

Analyze 2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 43265878
2-[bis(2-methylpropyl)amino]pyridine-3-carboximidamide
CID 61377512
2-(dibenzylamino)pyridine-3-carboximidamide
CID 130157138
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboximidamide
CID 55227687
2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 116796277
2-(1-bromonaphthalen-2-yl)oxypyridine-3-carboximidamide
CID 61028499
2-(N-ethyl-3-methylanilino)benzenecarboximidamide
CID 61075693
4-N-ethyl-6-N-(3-methyl-2-pyridinyl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545791
5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 66341940
4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545734
2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 62338500
N-ethyl-N-phenylnaphthalen-1-amine;methane
CID 143268632

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide?
The IUPAC name of 2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide (CID 43823181) is 2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for 2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide?
The canonical SMILES for 2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide is [H]/N=C(\N)c1cccnc1N(CC)c1cccc2ccccc12.
What is the InChIKey of 2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide?
The InChIKey is VRTAVDFYXUOPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-2-22(18-15(17(19)20)10-6-12-21-18)16-11-5-8-13-7-3-4-9-14(13)16/h3-12H,2H2,1H3,(H3,19,20).
What are the key properties of 2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide?
2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide has a molecular weight of 290.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 43823181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).