methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate

C10H10N2O2 — CID 15079356

IUPACmethyl 5-(prop-2-ynylamino)pyridine-2-carboxylate
SMILESC#CCNc1ccc(C(=O)OC)nc1
InChIInChI=1S/C10H10N2O2/c1-3-6-11-8-4-5-9(12-7-8)10(13)14-2/h1,4-5,7,11H,6H2,2H3
InChIKeyPNGLVIJLTRZPBE-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.91
Rot. Bonds3

About methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate

methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate (PubChem CID 15079356) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(prop-2-ynylamino)pyridine-2-carboxylate
PubChem CID15079356
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namemethyl 5-(prop-2-ynylamino)pyridine-2-carboxylate
SMILESC#CCNc1ccc(C(=O)OC)nc1
InChIInChI=1S/C10H10N2O2/c1-3-6-11-8-4-5-9(12-7-8)10(13)14-2/h1,4-5,7,11H,6H2,2H3
InChIKeyPNGLVIJLTRZPBE-UHFFFAOYSA-N
XLogP0.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(2,2,2-trifluoroethylamino)pyridine-2-carboxylate
CID 66802732
methyl 5-ethynylpyridine-2-carboxylate
CID 568567
methyl 5-(6-methoxycarbonyl-3-pyridinyl)pyridine-2-carboxylate
CID 46738787
methyl 5-[(6-methoxycarbonyl-3-pyridinyl)carbamoyl]pyridine-2-carboxylate
CID 166208657
methyl 5-(hydroxymethyl)pyridine-2-carboxylate
CID 18974051
carbon dioxide;methyl 5-methylpyridine-2-carboxylate
CID 157165111
methyl 5-(2,4-dimethylpentanoylamino)pyridine-2-carboxylate
CID 170275874
methyl 5-chloropyridine-2-carboxylate
CID 11298216
methyl 5-bromopyridine-2-carboxylate
CID 7016458
methyl 5-[(2-acetylsulfanyl-2-methylpropanoyl)amino]pyridine-2-carboxylate
CID 54156394
[1-[(6-methoxycarbonyl-3-pyridinyl)amino]-4-methyl-1-oxopentan-2-yl]phosphonic acid
CID 169288588
ethane;methyl 5-bromopyridine-2-carboxylate
CID 143416930

Frequently Asked Questions

What is the IUPAC name of methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate (CID 15079356) is methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate is C#CCNc1ccc(C(=O)OC)nc1.
What is the InChIKey of methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate?
The InChIKey is PNGLVIJLTRZPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-3-6-11-8-4-5-9(12-7-8)10(13)14-2/h1,4-5,7,11H,6H2,2H3.
What are the key properties of methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate?
methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate has a molecular weight of 190.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(prop-2-ynylamino)pyridine-2-carboxylate is sourced from PubChem (CID 15079356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).