N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide

C14H18N2O2 — CID 66484764

IUPACN,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccncc1C#CCCO
InChIInChI=1S/C14H18N2O2/c1-3-16(4-2)14(18)13-8-9-15-11-12(13)7-5-6-10-17/h8-9,11,17H,3-4,6,10H2,1-2H3
InChIKeyNLDOLDDAGGNQPY-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.30
Rot. Bonds4

About N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide

N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide (PubChem CID 66484764) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
PubChem CID66484764
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccncc1C#CCCO
InChIInChI=1S/C14H18N2O2/c1-3-16(4-2)14(18)13-8-9-15-11-12(13)7-5-6-10-17/h8-9,11,17H,3-4,6,10H2,1-2H3
InChIKeyNLDOLDDAGGNQPY-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-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 103103852
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484406
N-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide
CID 66483431
3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 66484592
3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide
CID 66483410
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-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484405
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 66472049
3-(4-hydroxybut-1-ynyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482883
3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-4-carboxamide
CID 107400585

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
The IUPAC name of N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide (CID 66484764) is N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
The canonical SMILES for N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide is CCN(CC)C(=O)c1ccncc1C#CCCO.
What is the InChIKey of N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
The InChIKey is NLDOLDDAGGNQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-16(4-2)14(18)13-8-9-15-11-12(13)7-5-6-10-17/h8-9,11,17H,3-4,6,10H2,1-2H3.
What are the key properties of N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-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,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide is sourced from PubChem (CID 66484764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).