N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide

C16H22N2O3 — CID 107522126

IUPACN-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
SMILESCCCCOCCNC(=O)c1ncccc1C#CCCO
InChIInChI=1S/C16H22N2O3/c1-2-3-12-21-13-10-18-16(20)15-14(7-4-5-11-19)8-6-9-17-15/h6,8-9,19H,2-3,5,10-13H2,1H3,(H,18,20)
InChIKeyHOCCQKJKTFZMNQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.36
Rot. Bonds8

About N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide

N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide (PubChem CID 107522126) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
PubChem CID107522126
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
SMILESCCCCOCCNC(=O)c1ncccc1C#CCCO
InChIInChI=1S/C16H22N2O3/c1-2-3-12-21-13-10-18-16(20)15-14(7-4-5-11-19)8-6-9-17-15/h6,8-9,19H,2-3,5,10-13H2,1H3,(H,18,20)
InChIKeyHOCCQKJKTFZMNQ-UHFFFAOYSA-N
XLogP1.36
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoprop-1-ynyl)-N-(3-butoxypropyl)pyridine-2-carboxamide
CID 107524783
N-[3-(ethylamino)-3-oxopropyl]-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107523109
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 107521470
N-(cyclopropylmethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 107520618
3-(3-hydroxyprop-1-ynyl)-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 107523284
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-aminoprop-1-ynyl)pyridine-2-carboxamide
CID 106240712
3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-2-carboxamide
CID 107522402
3-(4-hydroxybut-1-ynyl)-N-(1-methoxybutan-2-yl)pyridine-2-carboxamide
CID 107522619
3-(4-hydroxybut-1-ynyl)-N-(thian-4-ylmethyl)pyridine-2-carboxamide
CID 107523183
3-(4-hydroxybut-1-ynyl)-N-(3-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 107521173
3-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 107523143
3-(3-hydroxyprop-1-ynyl)-N-octan-4-ylpyridine-2-carboxamide
CID 106021616

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide (CID 107522126) is N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide is CCCCOCCNC(=O)c1ncccc1C#CCCO.
What is the InChIKey of N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
The InChIKey is HOCCQKJKTFZMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-3-12-21-13-10-18-16(20)15-14(7-4-5-11-19)8-6-9-17-15/h6,8-9,19H,2-3,5,10-13H2,1H3,(H,18,20).
What are the key properties of N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-3-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 107522126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).