N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide

C14H17N3O4 — CID 106240662

IUPACN-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
SMILESNC(=O)COCCNC(=O)c1ccncc1C#CCCO
InChIInChI=1S/C14H17N3O4/c15-13(19)10-21-8-6-17-14(20)12-4-5-16-9-11(12)3-1-2-7-18/h4-5,9,18H,2,6-8,10H2,(H2,15,19)(H,17,20)
InChIKeyGLDXBXDDHCOEGK-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.95
Rot. Bonds7

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

N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide (PubChem CID 106240662) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
PubChem CID106240662
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC NameN-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
SMILESNC(=O)COCCNC(=O)c1ccncc1C#CCCO
InChIInChI=1S/C14H17N3O4/c15-13(19)10-21-8-6-17-14(20)12-4-5-16-9-11(12)3-1-2-7-18/h4-5,9,18H,2,6-8,10H2,(H2,15,19)(H,17,20)
InChIKeyGLDXBXDDHCOEGK-UHFFFAOYSA-N
XLogP-0.95
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66483043
2-[[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]amino]ethyl carbamate
CID 83203212
3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66482048
3-(3-hydroxyprop-1-ynyl)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482239
3-(4-hydroxybut-1-ynyl)-N-(2H-tetrazol-5-ylmethyl)pyridine-4-carboxamide
CID 66483448
3-(4-hydroxybut-1-ynyl)-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
CID 66483654
3-(3-aminoprop-1-ynyl)-N-propylpyridine-4-carboxamide
CID 66483862
N-cyclobutyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66481893
N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 103103852
3-(4-hydroxybut-1-ynyl)-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-4-carboxamide
CID 106406611
3-(4-hydroxybut-1-ynyl)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-4-carboxamide
CID 79360832
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 106240647

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
The IUPAC name of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide (CID 106240662) is N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide is NC(=O)COCCNC(=O)c1ccncc1C#CCCO.
What is the InChIKey of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
The InChIKey is GLDXBXDDHCOEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-13(19)10-21-8-6-17-14(20)12-4-5-16-9-11(12)3-1-2-7-18/h4-5,9,18H,2,6-8,10H2,(H2,15,19)(H,17,20).
What are the key properties of N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide?
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide has a molecular weight of 291.31 g/mol, XLogP of -0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide is sourced from PubChem (CID 106240662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).