5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide

C16H16N4O — CID 62953500

IUPAC5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NCCc2ccncc2)nc1
InChIInChI=1S/C16H16N4O/c17-8-1-2-14-3-4-15(20-12-14)16(21)19-11-7-13-5-9-18-10-6-13/h3-6,9-10,12H,7-8,11,17H2,(H,19,21)
InChIKeyAVPITXFCKPLFBQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.76
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 62953500) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
PubChem CID62953500
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESNCC#Cc1ccc(C(=O)NCCc2ccncc2)nc1
InChIInChI=1S/C16H16N4O/c17-8-1-2-14-3-4-15(20-12-14)16(21)19-11-7-13-5-9-18-10-6-13/h3-6,9-10,12H,7-8,11,17H2,(H,19,21)
InChIKeyAVPITXFCKPLFBQ-UHFFFAOYSA-N
XLogP0.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminoprop-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 63241235
5-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62953000
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
5-(3-aminoprop-1-ynyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106422382
5-(3-aminoprop-1-ynyl)-N-(3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63961406
5-(3-aminoprop-1-ynyl)-N-(2-cyclopentylethyl)pyridine-2-carboxamide
CID 62953666
5-(3-aminoprop-1-ynyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 62958356
5-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 104640377
5-(3-aminoprop-1-ynyl)-N-[2-(ethylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 106342164
5-(3-aminoprop-1-ynyl)-N-cyclopentylpyridine-2-carboxamide
CID 62960645
5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 61075669
5-(3-aminoprop-1-ynyl)-N-(2-methyl-4-pyridinyl)pyridine-2-carboxamide
CID 79241057

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (CID 62953500) is 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is NCC#Cc1ccc(C(=O)NCCc2ccncc2)nc1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is AVPITXFCKPLFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-8-1-2-14-3-4-15(20-12-14)16(21)19-11-7-13-5-9-18-10-6-13/h3-6,9-10,12H,7-8,11,17H2,(H,19,21).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62953500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).