6-ethynyl-N-propan-2-ylpyridine-3-carboxamide

C11H12N2O — CID 90450091

IUPAC6-ethynyl-N-propan-2-ylpyridine-3-carboxamide
SMILESC#Cc1ccc(C(=O)NC(C)C)cn1
InChIInChI=1S/C11H12N2O/c1-4-10-6-5-9(7-12-10)11(14)13-8(2)3/h1,5-8H,2-3H3,(H,13,14)
InChIKeyKNSBUHCWJDSFEC-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.20
Rot. Bonds2

About 6-ethynyl-N-propan-2-ylpyridine-3-carboxamide

6-ethynyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 90450091) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 6-ethynyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethynyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID90450091
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name6-ethynyl-N-propan-2-ylpyridine-3-carboxamide
SMILESC#Cc1ccc(C(=O)NC(C)C)cn1
InChIInChI=1S/C11H12N2O/c1-4-10-6-5-9(7-12-10)11(14)13-8(2)3/h1,5-8H,2-3H3,(H,13,14)
InChIKeyKNSBUHCWJDSFEC-UHFFFAOYSA-N
XLogP1.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-N-propan-2-ylpyridine-3-carboxamide
CID 121261417
6-(difluoromethoxy)-N-propan-2-ylpyridine-3-carboxamide
CID 155585909
6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
CID 114416382
N-propan-2-yl-6-(1,3-thiazol-5-yl)pyridine-3-carboxamide
CID 110131611
N-propan-2-ylpyridazine-4-carboxamide
CID 115736010
6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 53014458
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
6-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109151323
N-(4-methylpent-1-yn-3-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 114202428
2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246951
5-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844981
2-N,5-N-bis[(2S)-butan-2-yl]pyridine-2,5-dicarboxamide
CID 844984

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-ethynyl-N-propan-2-ylpyridine-3-carboxamide (CID 90450091) is 6-ethynyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-ethynyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-ethynyl-N-propan-2-ylpyridine-3-carboxamide is C#Cc1ccc(C(=O)NC(C)C)cn1.
What is the InChIKey of 6-ethynyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is KNSBUHCWJDSFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-4-10-6-5-9(7-12-10)11(14)13-8(2)3/h1,5-8H,2-3H3,(H,13,14).
What are the key properties of 6-ethynyl-N-propan-2-ylpyridine-3-carboxamide?
6-ethynyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 188.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 90450091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).