3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide

C16H20N2O2 — CID 138022277

IUPAC3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NCC#CC2CCCCO2)c(C)c1
InChIInChI=1S/C16H20N2O2/c1-12-10-13(2)15(18-11-12)16(19)17-8-5-7-14-6-3-4-9-20-14/h10-11,14H,3-4,6,8-9H2,1-2H3,(H,17,19)
InChIKeyHRILXAUPFAOAIF-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.00
Rot. Bonds2

About 3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide

3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide (PubChem CID 138022277) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide
PubChem CID138022277
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)NCC#CC2CCCCO2)c(C)c1
InChIInChI=1S/C16H20N2O2/c1-12-10-13(2)15(18-11-12)16(19)17-8-5-7-14-6-3-4-9-20-14/h10-11,14H,3-4,6,8-9H2,1-2H3,(H,17,19)
InChIKeyHRILXAUPFAOAIF-UHFFFAOYSA-N
XLogP2.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-(oxan-2-yl)prop-2-ynyl]furan-2-carboxamide
CID 138022288
4-[methyl(prop-2-enoyl)amino]-N-[3-(oxan-2-yl)prop-2-ynyl]benzamide
CID 167804608
N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide
CID 136559330
3,5-dimethylpyridine-2-carboxylic acid
CID 15426890
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
5-bromo-N-(cyclopropylmethyl)-3-methylpyridine-2-carboxamide
CID 146675190
N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 154739069
5-(methylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-2-carboxamide
CID 106000609
5-fluoro-4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 146080052
2-(oxan-2-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 110419575
N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide
CID 153496072
3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide
CID 104852566

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide (CID 138022277) is 3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide is Cc1cnc(C(=O)NCC#CC2CCCCO2)c(C)c1.
What is the InChIKey of 3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide?
The InChIKey is HRILXAUPFAOAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-10-13(2)15(18-11-12)16(19)17-8-5-7-14-6-3-4-9-20-14/h10-11,14H,3-4,6,8-9H2,1-2H3,(H,17,19).
What are the key properties of 3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide?
3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(oxan-2-yl)prop-2-ynyl]pyridine-2-carboxamide is sourced from PubChem (CID 138022277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).