N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide

C14H18N2O2 — CID 55152298

IUPACN-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C14H18N2O2/c1-3-4-9-16(2)14(18)13-8-7-12(11-15-13)6-5-10-17/h7-8,11,17H,3-4,9-10H2,1-2H3
InChIKeyLQGLLKNRYUBHRP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.30
Rot. Bonds4

About N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide

N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide (PubChem CID 55152298) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
PubChem CID55152298
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C14H18N2O2/c1-3-4-9-16(2)14(18)13-8-7-12(11-15-13)6-5-10-17/h7-8,11,17H,3-4,9-10H2,1-2H3
InChIKeyLQGLLKNRYUBHRP-UHFFFAOYSA-N
XLogP1.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.30
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-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62958096
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide
CID 62958249
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
CID 63699160
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 106917670
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 63706259
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 63021060
N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 103103843
5-(3-hydroxyprop-1-ynyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106041923
N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182041
N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62959141
5-(3-aminoprop-1-ynyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 63209030
6-[methyl(pentyl)carbamoyl]pyridine-3-carboxylic acid
CID 43452990

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide (CID 55152298) is N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide is CCCCN(C)C(=O)c1ccc(C#CCO)cn1.
What is the InChIKey of N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
The InChIKey is LQGLLKNRYUBHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-4-9-16(2)14(18)13-8-7-12(11-15-13)6-5-10-17/h7-8,11,17H,3-4,9-10H2,1-2H3.
What are the key properties of N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 55152298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).