N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide

C15H19N3O3 — CID 66484406

IUPACN-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1ccncc1C#CCCO
InChIInChI=1S/C15H19N3O3/c1-3-18(11-14(20)16-2)15(21)13-7-8-17-10-12(13)6-4-5-9-19/h7-8,10,19H,3,5,9,11H2,1-2H3,(H,16,20)
InChIKeyISIZTUJREQOFFP-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.02
Rot. Bonds5

About N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide

N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 66484406) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
PubChem CID66484406
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESCCN(CC(=O)NC)C(=O)c1ccncc1C#CCCO
InChIInChI=1S/C15H19N3O3/c1-3-18(11-14(20)16-2)15(21)13-7-8-17-10-12(13)6-4-5-9-19/h7-8,10,19H,3,5,9,11H2,1-2H3,(H,16,20)
InChIKeyISIZTUJREQOFFP-UHFFFAOYSA-N
XLogP0.02
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.02
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-3-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484405
N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66484764
N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 103103852
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484972
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-4-fluoro-2-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 61450166
N-ethyl-5-(4-hydroxybut-1-ynyl)-4-methyl-N-[2-(methylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 79977762

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide (CID 66484406) is N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide is CCN(CC(=O)NC)C(=O)c1ccncc1C#CCCO.
What is the InChIKey of N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is ISIZTUJREQOFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-18(11-14(20)16-2)15(21)13-7-8-17-10-12(13)6-4-5-9-19/h7-8,10,19H,3,5,9,11H2,1-2H3,(H,16,20).
What are the key properties of N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide?
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 66484406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).