6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine

C19H21N3O — CID 89144015

IUPAC6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine
SMILESC=C(Nc1cccc(C#Cc2cccc(N)c2)n1)OC(C)(C)C
InChIInChI=1S/C19H21N3O/c1-14(23-19(2,3)4)21-18-10-6-9-17(22-18)12-11-15-7-5-8-16(20)13-15/h5-10,13H,1,20H2,2-4H3,(H,21,22)
InChIKeyXSBWRYJNXMXMRV-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.76
Rot. Bonds3

About 6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine

6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine (PubChem CID 89144015) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine
PubChem CID89144015
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine
SMILESC=C(Nc1cccc(C#Cc2cccc(N)c2)n1)OC(C)(C)C
InChIInChI=1S/C19H21N3O/c1-14(23-19(2,3)4)21-18-10-6-9-17(22-18)12-11-15-7-5-8-16(20)13-15/h5-10,13H,1,20H2,2-4H3,(H,21,22)
InChIKeyXSBWRYJNXMXMRV-UHFFFAOYSA-N
XLogP3.76
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-N'-(6-methylpyridin-2-yl)urea
CID 3966223
1-(3,4-Dimethylphenyl)-3-(6-methylpyridin-2-yl)urea
CID 769350
1-(4,6-Dimethylpyridin-2-yl)-3-(3-methylphenyl)urea
CID 6468993
tert-Butyl (4,6-dimethylpyridin-2-yl)carbamate
CID 54577218
N-(6-methyl-2-pyridinyl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 310459
1-(4,6-Dimethyl-2-pyridyl)-3-phenethyl-guanidine
CID 3013230
2-Methyl-4-(4-(6-methylpyridin-2-ylamino)phenyl)but-3-yn-2-ol
CID 54582827
6-methyl-N-(4-methylphenyl)pyridin-2-amine
CID 122632160
N-(4,6-Dimethyl-2-pyridinyl)-N'-(3-(trifluoromethyl)phenyl)urea
CID 310693
(4R)-5,5-difluoro-4-[2-fluoro-5-[[6-(trifluoromethyl)pyridin-2-yl]amino]phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine
CID 71468072
5,5-Difluoro-4-[2-fluoro-5-[[6-(trifluoromethyl)-2-pyridinyl]amino]phenyl]-4,6,6-trimethyl-1,3-oxazin-2-amine
CID 78077691
3-but-2-en-2-yl-N-phenyl-6-(trifluoromethyl)pyridin-2-amine
CID 123902052

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine?
The IUPAC name of 6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine (CID 89144015) is 6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine.
What is the SMILES notation for 6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine?
The canonical SMILES for 6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine is C=C(Nc1cccc(C#Cc2cccc(N)c2)n1)OC(C)(C)C.
What is the InChIKey of 6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine?
The InChIKey is XSBWRYJNXMXMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14(23-19(2,3)4)21-18-10-6-9-17(22-18)12-11-15-7-5-8-16(20)13-15/h5-10,13H,1,20H2,2-4H3,(H,21,22).
What are the key properties of 6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine?
6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-aminophenyl)ethynyl]-N-[1-[(2-methylpropan-2-yl)oxy]ethenyl]pyridin-2-amine is sourced from PubChem (CID 89144015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).