[6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate

C18H18N2O2 — CID 168942180

IUPAC[6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate
SMILESCCN(C)c1cccc(OC(=O)C#Cc2ccccc2C)n1
InChIInChI=1S/C18H18N2O2/c1-4-20(3)16-10-7-11-17(19-16)22-18(21)13-12-15-9-6-5-8-14(15)2/h5-11H,4H2,1-3H3
InChIKeyBOWGVVJFLHIETM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.80
Rot. Bonds3

About [6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate

[6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate (PubChem CID 168942180) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is [6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate.

Molecular Properties

Compound Name[6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate
PubChem CID168942180
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name[6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate
SMILESCCN(C)c1cccc(OC(=O)C#Cc2ccccc2C)n1
InChIInChI=1S/C18H18N2O2/c1-4-20(3)16-10-7-11-17(19-16)22-18(21)13-12-15-9-6-5-8-14(15)2/h5-11H,4H2,1-3H3
InChIKeyBOWGVVJFLHIETM-UHFFFAOYSA-N
XLogP2.80
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[methyl-[6-[3-(2-methylphenyl)prop-2-ynoyloxy]-2-pyridinyl]amino]propanoate
CID 168942072
tert-butyl 3-(2-methylphenyl)prop-2-ynoate
CID 102407719
ethyl 3-[(6-ethoxy-2-pyridinyl)-methylamino]propanoate
CID 63588358
3-(2-methylphenyl)prop-2-ynoic acid
CID 12754024
tert-butyl 2-[[6-[2-hydroxyethyl(methyl)amino]-2-pyridinyl]oxy]acetate
CID 156635722
1-(2-methylphenyl)hept-1-yn-3-one
CID 102368811
methyl 3-[(6-methoxy-2-pyridinyl)-methylamino]propanoate
CID 63588552
N,N-dimethyl-3-(2-methylphenyl)prop-2-yn-1-amine
CID 34243612
ethyl 3-[2-(trifluoromethyl)phenyl]prop-2-ynoate
CID 53434762
[2-methyl-4-[2-(2-methylphenyl)ethynyl]phenyl] propanoate
CID 141257104
N,6-dimethyl-N-[2-(2-methylphenoxy)ethyl]pyridin-2-amine
CID 133313504
6-N-ethyl-2-N,6-N-dimethylpyridine-2,6-diamine
CID 80774981

Frequently Asked Questions

What is the IUPAC name of [6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate?
The IUPAC name of [6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate (CID 168942180) is [6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate.
What is the SMILES notation for [6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate?
The canonical SMILES for [6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate is CCN(C)c1cccc(OC(=O)C#Cc2ccccc2C)n1.
What is the InChIKey of [6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate?
The InChIKey is BOWGVVJFLHIETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-4-20(3)16-10-7-11-17(19-16)22-18(21)13-12-15-9-6-5-8-14(15)2/h5-11H,4H2,1-3H3.
What are the key properties of [6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate?
[6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate has a molecular weight of 294.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[ethyl(methyl)amino]-2-pyridinyl] 3-(2-methylphenyl)prop-2-ynoate is sourced from PubChem (CID 168942180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).