6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid

C10H10N2O2 — CID 81232269

IUPAC6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
SMILESC#CCNc1cc(C)ncc1C(=O)O
InChIInChI=1S/C10H10N2O2/c1-3-4-11-9-5-7(2)12-6-8(9)10(13)14/h1,5-6H,4H2,2H3,(H,11,12)(H,13,14)
InChIKeyPWGIVDSSVQODRB-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.13
Rot. Bonds3

About 6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid

6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid (PubChem CID 81232269) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
PubChem CID81232269
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid
SMILESC#CCNc1cc(C)ncc1C(=O)O
InChIInChI=1S/C10H10N2O2/c1-3-4-11-9-5-7(2)12-6-8(9)10(13)14/h1,5-6H,4H2,2H3,(H,11,12)(H,13,14)
InChIKeyPWGIVDSSVQODRB-UHFFFAOYSA-N
XLogP1.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(but-3-ynylamino)-6-methylpyridine-3-carboxylic acid
CID 81244685
4-(2,3-dimethylbutylamino)-6-methylpyridine-3-carboxylic acid
CID 81244589
4-[[2-(dimethylamino)-2-oxoethyl]amino]-6-methylpyridine-3-carboxylic acid
CID 81233393
6-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carboxylic acid
CID 102906554
4-(tert-butylamino)-6-methylpyridine-3-carboxylic acid
CID 81232359
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
6-methyl-4-[[3-(methylamino)-3-oxopropyl]amino]pyridine-3-carboxylic acid
CID 81243971
4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 83121725
6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81232379
4-[(2-chlorophenyl)methylamino]-6-methylpyridine-3-carboxylic acid
CID 81233545
4-(2,2-dicyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81244397
4-[(2-ethoxy-2-methylpropyl)amino]-6-methylpyridine-3-carboxylic acid
CID 114942705

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid (CID 81232269) is 6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid is C#CCNc1cc(C)ncc1C(=O)O.
What is the InChIKey of 6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid?
The InChIKey is PWGIVDSSVQODRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-3-4-11-9-5-7(2)12-6-8(9)10(13)14/h1,5-6H,4H2,2H3,(H,11,12)(H,13,14).
What are the key properties of 6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid?
6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(prop-2-ynylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81232269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).