5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide

C16H21N3O2 — CID 83035251

IUPAC5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2cncc(C#CCN)c2)CCO1
InChIInChI=1S/C16H21N3O2/c1-16(2)9-14(5-7-21-16)19-15(20)13-8-12(4-3-6-17)10-18-11-13/h8,10-11,14H,5-7,9,17H2,1-2H3,(H,19,20)
InChIKeyCHHHTEOTVICPDX-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.08
Rot. Bonds2

About 5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide (PubChem CID 83035251) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
PubChem CID83035251
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
SMILESCC1(C)CC(NC(=O)c2cncc(C#CCN)c2)CCO1
InChIInChI=1S/C16H21N3O2/c1-16(2)9-14(5-7-21-16)19-15(20)13-8-12(4-3-6-17)10-18-11-13/h8,10-11,14H,5-7,9,17H2,1-2H3,(H,19,20)
InChIKeyCHHHTEOTVICPDX-UHFFFAOYSA-N
XLogP1.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.08
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-(1-methylcyclobutyl)pyridine-3-carboxamide
CID 113485891
3-[(2,2-dimethyloxan-4-yl)carbamoyl]-5-fluorosulfonyloxypyridine
CID 154880990
5-(3-aminoprop-1-ynyl)-N-(2-methoxycyclopentyl)pyridine-3-carboxamide
CID 62086672
N-(2,2-dimethyloxan-4-yl)-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 83035238
6-amino-5-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide
CID 115563972
3,5-dichloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 122132655
5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
CID 83023049
5-chloro-N-(2,2-dimethyloxan-4-yl)-6-(methylamino)pyridine-3-carboxamide
CID 83039415
5-(3-aminoprop-1-ynyl)-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 104764922
methyl 2-[[5-(3-aminoprop-1-ynyl)pyridine-3-carbonyl]amino]acetate
CID 54974362
methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride
CID 163333350
3-chloro-N-(2,2-dimethyloxan-4-yl)pyridine-4-carboxamide
CID 113336639

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide (CID 83035251) is 5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide is CC1(C)CC(NC(=O)c2cncc(C#CCN)c2)CCO1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide?
The InChIKey is CHHHTEOTVICPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2)9-14(5-7-21-16)19-15(20)13-8-12(4-3-6-17)10-18-11-13/h8,10-11,14H,5-7,9,17H2,1-2H3,(H,19,20).
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.08, 2 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-(2,2-dimethyloxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 83035251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).