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

C15H18N2O2 — CID 62959141

IUPACN-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C15H18N2O2/c1-11(13-6-7-13)17(2)15(19)14-8-5-12(10-16-14)4-3-9-18/h5,8,10-11,13,18H,6-7,9H2,1-2H3
InChIKeyMVBOMZXDBAAKMP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.30
Rot. Bonds3

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

N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide (PubChem CID 62959141) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
PubChem CID62959141
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C15H18N2O2/c1-11(13-6-7-13)17(2)15(19)14-8-5-12(10-16-14)4-3-9-18/h5,8,10-11,13,18H,6-7,9H2,1-2H3
InChIKeyMVBOMZXDBAAKMP-UHFFFAOYSA-N
XLogP1.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide (CID 62959141) is N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide is CC(C1CC1)N(C)C(=O)c1ccc(C#CCO)cn1.
What is the InChIKey of N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
The InChIKey is MVBOMZXDBAAKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(13-6-7-13)17(2)15(19)14-8-5-12(10-16-14)4-3-9-18/h5,8,10-11,13,18H,6-7,9H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide?
N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 62959141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).