N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide

C14H17N3O3 — CID 103103852

IUPACN-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1ccncc1C#CCCO
InChIInChI=1S/C14H17N3O3/c1-2-17(10-13(15)19)14(20)12-6-7-16-9-11(12)5-3-4-8-18/h6-7,9,18H,2,4,8,10H2,1H3,(H2,15,19)
InChIKeyPUVZRBNHZRYJCV-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.24
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide

N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide (PubChem CID 103103852) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
PubChem CID103103852
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1ccncc1C#CCCO
InChIInChI=1S/C14H17N3O3/c1-2-17(10-13(15)19)14(20)12-6-7-16-9-11(12)5-3-4-8-18/h6-7,9,18H,2,4,8,10H2,1H3,(H2,15,19)
InChIKeyPUVZRBNHZRYJCV-UHFFFAOYSA-N
XLogP-0.24
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.24
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,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66484764
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484406
3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66482048
N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)-2-methylbenzamide
CID 103103851
N-ethyl-3-(3-hydroxyprop-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484405
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)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 66484600
3-(3-aminoprop-1-ynyl)-N-(cyclopropylmethyl)-N-ethylpyridine-4-carboxamide
CID 66472049
3-(3-aminoprop-1-ynyl)-N-(cyclobutylmethyl)-N-ethylpyridine-4-carboxamide
CID 107400585

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide (CID 103103852) is N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide is CCN(CC(N)=O)C(=O)c1ccncc1C#CCCO.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
The InChIKey is PUVZRBNHZRYJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-17(10-13(15)19)14(20)12-6-7-16-9-11(12)5-3-4-8-18/h6-7,9,18H,2,4,8,10H2,1H3,(H2,15,19).
What are the key properties of N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide is sourced from PubChem (CID 103103852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).