3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide

C13H13N5O — CID 66484078

IUPAC3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCn1nccc1NC(=O)c1ccncc1C#CCN
InChIInChI=1S/C13H13N5O/c1-18-12(5-8-16-18)17-13(19)11-4-7-15-9-10(11)3-2-6-14/h4-5,7-9H,6,14H2,1H3,(H,17,19)
InChIKeyKKAYZZQJEIYVQD-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.38
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide

3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide (PubChem CID 66484078) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
PubChem CID66484078
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCn1nccc1NC(=O)c1ccncc1C#CCN
InChIInChI=1S/C13H13N5O/c1-18-12(5-8-16-18)17-13(19)11-4-7-15-9-10(11)3-2-6-14/h4-5,7-9H,6,14H2,1H3,(H,17,19)
InChIKeyKKAYZZQJEIYVQD-UHFFFAOYSA-N
XLogP0.38
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxyprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 66482472
3-hydroxy-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide
CID 81443340
3-(3-aminoprop-1-ynyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 66483084
3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
CID 66483862
4-chloro-N-(2-methylpyrazol-3-yl)pyridine-3-carboxamide
CID 81226455
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 66481909
3-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 66484279
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(3-aminoprop-1-ynyl)pyridine-4-carboxamide
CID 106346966
3-(3-aminoprop-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66484649
3-(3-aminoprop-1-ynyl)-N-[(5-ethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 106014577
3-(3-aminoprop-1-ynyl)-N-(2,6-dimethylpiperidin-1-yl)pyridine-4-carboxamide
CID 83016440
3-(3-aminoprop-1-ynyl)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 66483662

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide (CID 66484078) is 3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide is Cn1nccc1NC(=O)c1ccncc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
The InChIKey is KKAYZZQJEIYVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-18-12(5-8-16-18)17-13(19)11-4-7-15-9-10(11)3-2-6-14/h4-5,7-9H,6,14H2,1H3,(H,17,19).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-(2-methylpyrazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 66484078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).