3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide

C14H16N6O — CID 107524399

IUPAC3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCn1cnnc1CCNC(=O)c1ncccc1C#CCN
InChIInChI=1S/C14H16N6O/c1-20-10-18-19-12(20)6-9-17-14(21)13-11(4-2-7-15)5-3-8-16-13/h3,5,8,10H,6-7,9,15H2,1H3,(H,17,21)
InChIKeyIFTJYJKRNKJPOP-UHFFFAOYSA-N
MW284.32 g/mol
LogP-0.51
Rot. Bonds4

About 3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide

3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 107524399) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID107524399
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCn1cnnc1CCNC(=O)c1ncccc1C#CCN
InChIInChI=1S/C14H16N6O/c1-20-10-18-19-12(20)6-9-17-14(21)13-11(4-2-7-15)5-3-8-16-13/h3,5,8,10H,6-7,9,15H2,1H3,(H,17,21)
InChIKeyIFTJYJKRNKJPOP-UHFFFAOYSA-N
XLogP-0.51
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide with MolForge

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 107522205
methyl 3-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107523903
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-aminoprop-1-ynyl)pyridine-2-carboxamide
CID 106240712
3-(3-aminoprop-1-ynyl)-N-(5-methylhexyl)pyridine-2-carboxamide
CID 107524648
3-(3-aminoprop-1-ynyl)-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-2-carboxamide
CID 107524732
3-(3-aminoprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-2-carboxamide
CID 106342128
3-(3-aminoprop-1-ynyl)-N-(3-butoxypropyl)pyridine-2-carboxamide
CID 107524783
3-(3-aminoprop-1-ynyl)-N-(2,5-dimethylpyrazol-3-yl)pyridine-2-carboxamide
CID 107523549
3-(3-aminoprop-1-ynyl)-N-benzylpyridine-2-carboxamide
CID 107523440
3-(3-aminoprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106049558
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)propyl]pyridine-2-carboxamide
CID 107524221
ethyl 2-[[3-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]amino]propanoate
CID 107524020

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide (CID 107524399) is 3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide is Cn1cnnc1CCNC(=O)c1ncccc1C#CCN.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is IFTJYJKRNKJPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-20-10-18-19-12(20)6-9-17-14(21)13-11(4-2-7-15)5-3-8-16-13/h3,5,8,10H,6-7,9,15H2,1H3,(H,17,21).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide?
3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of -0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-ynyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 107524399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).