N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide

C16H20N2O3 — CID 62958281

IUPACN-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCN(C(=O)c1ccc(C#CCCO)cn1)C1CC1
InChIInChI=1S/C16H20N2O3/c1-21-11-9-18(14-6-7-14)16(20)15-8-5-13(12-17-15)4-2-3-10-19/h5,8,12,14,19H,3,6-7,9-11H2,1H3
InChIKeyRJCNSUZAFQMORM-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.07
Rot. Bonds6

About N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide

N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 62958281) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID62958281
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCN(C(=O)c1ccc(C#CCCO)cn1)C1CC1
InChIInChI=1S/C16H20N2O3/c1-21-11-9-18(14-6-7-14)16(20)15-8-5-13(12-17-15)4-2-3-10-19/h5,8,12,14,19H,3,6-7,9-11H2,1H3
InChIKeyRJCNSUZAFQMORM-UHFFFAOYSA-N
XLogP1.07
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hydroxybut-1-ynyl)-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 62960261
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62959880
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62958096
5-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)pyridine-2-carboxamide
CID 55152113
N-(3-ethoxypropyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959692
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62958957
5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 62958620
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide
CID 62960597
5-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopropyl)pyridine-2-carboxamide
CID 55151928
5-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)-N-propan-2-ylpyridine-2-carboxamide
CID 62959533
N-cyclopropyl-N-(2-methoxyethyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374972
5-(3-aminoprop-1-ynyl)-N-cyclopentyl-N-ethylpyridine-2-carboxamide
CID 62953663

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 62958281) is N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCN(C(=O)c1ccc(C#CCCO)cn1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is RJCNSUZAFQMORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-21-11-9-18(14-6-7-14)16(20)15-8-5-13(12-17-15)4-2-3-10-19/h5,8,12,14,19H,3,6-7,9-11H2,1H3.
What are the key properties of N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide?
N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(4-hydroxybut-1-ynyl)-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62958281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).