N-but-3-yn-2-yl-3-methoxypyridin-2-amine

C10H12N2O — CID 114418045

IUPACN-but-3-yn-2-yl-3-methoxypyridin-2-amine
SMILESC#CC(C)Nc1ncccc1OC
InChIInChI=1S/C10H12N2O/c1-4-8(2)12-10-9(13-3)6-5-7-11-10/h1,5-8H,2-3H3,(H,11,12)
InChIKeyDZAFVXAQRHAHPN-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.52
Rot. Bonds3

About N-but-3-yn-2-yl-3-methoxypyridin-2-amine

N-but-3-yn-2-yl-3-methoxypyridin-2-amine (PubChem CID 114418045) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is N-but-3-yn-2-yl-3-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-3-methoxypyridin-2-amine
PubChem CID114418045
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC NameN-but-3-yn-2-yl-3-methoxypyridin-2-amine
SMILESC#CC(C)Nc1ncccc1OC
InChIInChI=1S/C10H12N2O/c1-4-8(2)12-10-9(13-3)6-5-7-11-10/h1,5-8H,2-3H3,(H,11,12)
InChIKeyDZAFVXAQRHAHPN-UHFFFAOYSA-N
XLogP1.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-but-3-yn-2-yl-3-methoxypyridin-2-amine 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

N-(1-cyclopropylethyl)-3-methoxypyridin-2-amine
CID 115923060
3-methoxy-N-pentan-2-ylpyridin-2-amine
CID 115923066
3-methoxy-N-(1-methoxybutan-2-yl)pyridin-2-amine
CID 115923094
3-methoxy-N-(1-methoxy-3-methylbutan-2-yl)pyridin-2-amine
CID 115923095
N-[1-(4-ethylphenyl)ethyl]-3-methoxypyridin-2-amine
CID 115923091
3-methoxy-N-(1-phenylpropyl)pyridin-2-amine
CID 112568517
N-(1-ethoxypropan-2-yl)-3-methoxypyridin-2-amine
CID 115923070
3-methoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyridin-2-amine
CID 115923076
N-(3-methoxy-2-pyridinyl)prop-2-ynamide
CID 131155873
N-but-3-yn-2-ylpyrimidin-2-amine
CID 114382924
3-bromo-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine
CID 61374280
3-methoxy-2-N-(3-methoxy-2-pyridinyl)propane-1,2-diamine
CID 106181998

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-3-methoxypyridin-2-amine?
The IUPAC name of N-but-3-yn-2-yl-3-methoxypyridin-2-amine (CID 114418045) is N-but-3-yn-2-yl-3-methoxypyridin-2-amine.
What is the SMILES notation for N-but-3-yn-2-yl-3-methoxypyridin-2-amine?
The canonical SMILES for N-but-3-yn-2-yl-3-methoxypyridin-2-amine is C#CC(C)Nc1ncccc1OC.
What is the InChIKey of N-but-3-yn-2-yl-3-methoxypyridin-2-amine?
The InChIKey is DZAFVXAQRHAHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-4-8(2)12-10-9(13-3)6-5-7-11-10/h1,5-8H,2-3H3,(H,11,12).
What are the key properties of N-but-3-yn-2-yl-3-methoxypyridin-2-amine?
N-but-3-yn-2-yl-3-methoxypyridin-2-amine has a molecular weight of 176.22 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-3-methoxypyridin-2-amine is sourced from PubChem (CID 114418045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).