3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide

C17H16N2O2 — CID 66483410

IUPAC3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1C#CCCO)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-19(15-8-3-2-4-9-15)17(21)16-10-11-18-13-14(16)7-5-6-12-20/h2-4,8-11,13,20H,6,12H2,1H3
InChIKeyUFUWTNGKIGPFCG-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.09
Rot. Bonds3

About 3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide

3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide (PubChem CID 66483410) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide
PubChem CID66483410
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccncc1C#CCCO)c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-19(15-8-3-2-4-9-15)17(21)16-10-11-18-13-14(16)7-5-6-12-20/h2-4,8-11,13,20H,6,12H2,1H3
InChIKeyUFUWTNGKIGPFCG-UHFFFAOYSA-N
XLogP2.09
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.09
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

N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66484764
N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide
CID 66483431
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 66482459
3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66482048
3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 66484600
N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 103103852
3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 66484592
3-(4-hydroxybut-1-ynyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482883
3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide
CID 66483603
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484406
3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
CID 66463019
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66483043

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide (CID 66483410) is 3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide is CN(C(=O)c1ccncc1C#CCCO)c1ccccc1.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide?
The InChIKey is UFUWTNGKIGPFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-19(15-8-3-2-4-9-15)17(21)16-10-11-18-13-14(16)7-5-6-12-20/h2-4,8-11,13,20H,6,12H2,1H3.
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 66483410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).