N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

C13H15N3O3 — CID 103103843

IUPACN-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C13H15N3O3/c1-2-16(9-12(14)18)13(19)11-6-5-10(8-15-11)4-3-7-17/h5-6,8,17H,2,7,9H2,1H3,(H2,14,18)
InChIKeyQVETZCJDPFBXEG-UHFFFAOYSA-N
MW261.28 g/mol
LogP-0.63
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (PubChem CID 103103843) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
PubChem CID103103843
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESCCN(CC(N)=O)C(=O)c1ccc(C#CCO)cn1
InChIInChI=1S/C13H15N3O3/c1-2-16(9-12(14)18)13(19)11-6-5-10(8-15-11)4-3-7-17/h5-6,8,17H,2,7,9H2,1H3,(H2,14,18)
InChIKeyQVETZCJDPFBXEG-UHFFFAOYSA-N
XLogP-0.63
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.63
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

methyl 2-[[5-(3-aminoprop-1-ynyl)pyridine-2-carbonyl]-ethylamino]acetate
CID 62954701
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 62959880
N-butyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 55152298
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenylpyridine-2-carboxamide
CID 62958249
N,N-bis(2-amino-2-oxoethyl)-4-(3-hydroxyprop-1-ynyl)benzamide
CID 62923888
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-propylpyridine-2-carboxamide
CID 62953349
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62958096
N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide
CID 63716939
N-(1-cyclopropylethyl)-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 62959141
N-ethyl-5-(4-hydroxybut-1-ynyl)-N-propan-2-ylpyridine-2-carboxamide
CID 62960597
5-cyano-N-ethyl-N-propylpyridine-2-carboxamide
CID 63717846
5-(3-aminoprop-1-ynyl)-N-[2-(dimethylamino)ethyl]-N-methylpyridine-2-carboxamide
CID 63699160

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (CID 103103843) is N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is CCN(CC(N)=O)C(=O)c1ccc(C#CCO)cn1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The InChIKey is QVETZCJDPFBXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-16(9-12(14)18)13(19)11-6-5-10(8-15-11)4-3-7-17/h5-6,8,17H,2,7,9H2,1H3,(H2,14,18).
What are the key properties of N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide has a molecular weight of 261.28 g/mol, XLogP of -0.63, 4 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-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 103103843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).