3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide

C14H15N5O — CID 107523549

IUPAC3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ncccc2C#CCN)n(C)n1
InChIInChI=1S/C14H15N5O/c1-10-9-12(19(2)18-10)17-14(20)13-11(5-3-7-15)6-4-8-16-13/h4,6,8-9H,7,15H2,1-2H3,(H,17,20)
InChIKeyAMEBZVIIFKQZIT-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.69
Rot. Bonds2

About 3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide (PubChem CID 107523549) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide
PubChem CID107523549
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ncccc2C#CCN)n(C)n1
InChIInChI=1S/C14H15N5O/c1-10-9-12(19(2)18-10)17-14(20)13-11(5-3-7-15)6-4-8-16-13/h4,6,8-9H,7,15H2,1-2H3,(H,17,20)
InChIKeyAMEBZVIIFKQZIT-UHFFFAOYSA-N
XLogP0.69
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.69
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-aminoprop-1-ynyl)-N-(5-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107523796
3-(3-aminoprop-1-ynyl)-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 107523760
3-(3-aminoprop-1-ynyl)-N-(3,5-dichlorophenyl)pyridine-2-carboxamide
CID 107523498
3-(3-aminoprop-1-ynyl)-N-(4-methylsulfanylphenyl)pyridine-2-carboxamide
CID 107523480
3-(3-aminoprop-1-ynyl)-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
CID 107595336
3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 107524399
ethyl 2-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107524020
3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide
CID 107523440
3-(3-aminoprop-1-ynyl)-N-(3,3-dimethylbutan-2-yl)pyridine-2-carboxamide
CID 107524757
methyl 3-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107523903
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 107524221
3-(3-hydroxyprop-1-ynyl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 107520997

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide (CID 107523549) is 3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide is Cc1cc(NC(=O)c2ncccc2C#CCN)n(C)n1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide?
The InChIKey is AMEBZVIIFKQZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-10-9-12(19(2)18-10)17-14(20)13-11(5-3-7-15)6-4-8-16-13/h4,6,8-9H,7,15H2,1-2H3,(H,17,20).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 0.69, 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-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107523549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).