N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide

C14H17N3O3 — CID 62959512

IUPACN-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
SMILESCCNC(=O)CNC(=O)c1ccc(C#CCCO)cn1
InChIInChI=1S/C14H17N3O3/c1-2-15-13(19)10-17-14(20)12-7-6-11(9-16-12)5-3-4-8-18/h6-7,9,18H,2,4,8,10H2,1H3,(H,15,19)(H,17,20)
InChIKeyHPWSUPSGKSUCTI-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.32
Rot. Bonds5

About N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide

N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide (PubChem CID 62959512) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
PubChem CID62959512
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
SMILESCCNC(=O)CNC(=O)c1ccc(C#CCCO)cn1
InChIInChI=1S/C14H17N3O3/c1-2-15-13(19)10-17-14(20)12-7-6-11(9-16-12)5-3-4-8-18/h6-7,9,18H,2,4,8,10H2,1H3,(H,15,19)(H,17,20)
InChIKeyHPWSUPSGKSUCTI-UHFFFAOYSA-N
XLogP-0.32
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62958957
5-(3-aminoprop-1-ynyl)-N-ethylpyridine-2-carboxamide
CID 62958179
N-(3-ethoxypropyl)-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide
CID 62959692
5-(4-hydroxybut-1-ynyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 62960232
5-(4-hydroxybut-1-ynyl)-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 62960261
5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960751
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62958096
5-(4-hydroxybut-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)pyridine-2-carboxamide
CID 63960546
5-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopropyl)pyridine-2-carboxamide
CID 55151928
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62959880
5-(4-hydroxybut-1-ynyl)-N-methyl-N-pentan-3-ylpyridine-2-carboxamide
CID 62958620
N-[2-(ethylamino)-2-oxoethyl]-3-(4-hydroxybut-1-ynyl)-5-methylbenzamide
CID 115999888

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide (CID 62959512) is N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide is CCNC(=O)CNC(=O)c1ccc(C#CCCO)cn1.
What is the InChIKey of N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
The InChIKey is HPWSUPSGKSUCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-15-13(19)10-17-14(20)12-7-6-11(9-16-12)5-3-4-8-18/h6-7,9,18H,2,4,8,10H2,1H3,(H,15,19)(H,17,20).
What are the key properties of N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide?
N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide has a molecular weight of 275.31 g/mol, XLogP of -0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxoethyl]-5-(4-hydroxybut-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 62959512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).