N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide

C16H23N3O2 — CID 62958957

IUPACN-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(C#CCCO)cn1
InChIInChI=1S/C16H23N3O2/c1-3-19(4-2)11-10-17-16(21)15-9-8-14(13-18-15)7-5-6-12-20/h8-9,13,20H,3-4,6,10-12H2,1-2H3,(H,17,21)
InChIKeyYQFDPDPIHDYOSR-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.89
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide

N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide (PubChem CID 62958957) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
PubChem CID62958957
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(C#CCCO)cn1
InChIInChI=1S/C16H23N3O2/c1-3-19(4-2)11-10-17-16(21)15-9-8-14(13-18-15)7-5-6-12-20/h8-9,13,20H,3-4,6,10-12H2,1-2H3,(H,17,21)
InChIKeyYQFDPDPIHDYOSR-UHFFFAOYSA-N
XLogP0.89
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62959880
N-(3-ethoxypropyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959692
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62958096
5-(4-hydroxybut-1-ynyl)-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 62960261
N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959512
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide
CID 62960597
5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62960232
5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960751
5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 62958620
N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959339
5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63960546

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide (CID 62958957) is N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide is CCN(CC)CCNC(=O)c1ccc(C#CCCO)cn1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
The InChIKey is YQFDPDPIHDYOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-19(4-2)11-10-17-16(21)15-9-8-14(13-18-15)7-5-6-12-20/h8-9,13,20H,3-4,6,10-12H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 62958957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).