3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide

C15H16N4O2 — CID 106376152

IUPAC3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
SMILESCCc1cnc(CNC(=O)c2ccncc2C#CCN)o1
InChIInChI=1S/C15H16N4O2/c1-2-12-9-18-14(21-12)10-19-15(20)13-5-7-17-8-11(13)4-3-6-16/h5,7-9H,2,6,10,16H2,1H3,(H,19,20)
InChIKeyXPNRIYQDNFUVFF-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.87
Rot. Bonds4

About 3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide

3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 106376152) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
PubChem CID106376152
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide
SMILESCCc1cnc(CNC(=O)c2ccncc2C#CCN)o1
InChIInChI=1S/C15H16N4O2/c1-2-12-9-18-14(21-12)10-19-15(20)13-5-7-17-8-11(13)4-3-6-16/h5,7-9H,2,6,10,16H2,1H3,(H,19,20)
InChIKeyXPNRIYQDNFUVFF-UHFFFAOYSA-N
XLogP0.87
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.87
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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 106372873
3-(3-aminoprop-1-ynyl)-N-[(5-ethylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 106014577
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydrazinylpyridine-4-carboxamide
CID 106377464
3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
CID 66483862
3-(3-aminoprop-1-ynyl)-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 66483281
3-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 66481909
3-(3-aminoprop-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66484649
2-[[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]amino]ethyl carbamate
CID 83203212
3-(3-aminoprop-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 66484279
3-(3-aminoprop-1-ynyl)-N-(2-cyclopropylethyl)pyridine-4-carboxamide
CID 66473056
3-(3-aminoprop-1-ynyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]pyridine-4-carboxamide
CID 66483865
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide
CID 106368562

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide (CID 106376152) is 3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide is CCc1cnc(CNC(=O)c2ccncc2C#CCN)o1.
What is the InChIKey of 3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide?
The InChIKey is XPNRIYQDNFUVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-12-9-18-14(21-12)10-19-15(20)13-5-7-17-8-11(13)4-3-6-16/h5,7-9H,2,6,10,16H2,1H3,(H,19,20).
What are the key properties of 3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide?
3-(3-aminoprop-1-ynyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 0.87, 4 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-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 106376152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).