N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide

C11H17N3O3 — CID 106308005

IUPACN-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESNCCOCCCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C11H17N3O3/c12-3-7-17-6-1-4-14-11(16)9-8-13-5-2-10(9)15/h2,5,8H,1,3-4,6-7,12H2,(H,13,15)(H,14,16)
InChIKeyCBTMZVUTWSUBEV-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.53
Rot. Bonds7

About N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide

N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 106308005) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID106308005
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC NameN-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESNCCOCCCNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C11H17N3O3/c12-3-7-17-6-1-4-14-11(16)9-8-13-5-2-10(9)15/h2,5,8H,1,3-4,6-7,12H2,(H,13,15)(H,14,16)
InChIKeyCBTMZVUTWSUBEV-UHFFFAOYSA-N
XLogP-0.53
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-4-oxo-1H-pyridine-3-carboxamide
CID 103337019
N-octyl-4-oxo-1H-pyridine-3-carboxamide
CID 114039175
N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106039021
N-[3-(2-aminoethoxy)propyl]-2,3-dihydroxybenzamide
CID 114171525
4-oxo-N-(2-sulfamoylethyl)-1H-pyridine-3-carboxamide
CID 103386588
N-[3-(2-aminoethoxy)propyl]-2,5-difluorobenzamide
CID 106307851
4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 114039090
N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103384967
N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103336844
N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 106152482
N-[3-(2-methoxyethoxy)propyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696255
N-[3-(2-aminoethoxy)propyl]-1-benzofuran-3-carboxamide
CID 106307933

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide (CID 106308005) is N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide is NCCOCCCNC(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CBTMZVUTWSUBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c12-3-7-17-6-1-4-14-11(16)9-8-13-5-2-10(9)15/h2,5,8H,1,3-4,6-7,12H2,(H,13,15)(H,14,16).
What are the key properties of N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide?
N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -0.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)propyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106308005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).