1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide

C14H23N3O3 — CID 66988038

IUPAC1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide
SMILESNCCCCCCn1cc(C(=O)NCCO)ccc1=O
InChIInChI=1S/C14H23N3O3/c15-7-3-1-2-4-9-17-11-12(5-6-13(17)19)14(20)16-8-10-18/h5-6,11,18H,1-4,7-10,15H2,(H,16,20)
InChIKeyXHBABLVOIDTDMW-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.09
Rot. Bonds9

About 1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide

1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide (PubChem CID 66988038) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide
PubChem CID66988038
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide
SMILESNCCCCCCn1cc(C(=O)NCCO)ccc1=O
InChIInChI=1S/C14H23N3O3/c15-7-3-1-2-4-9-17-11-12(5-6-13(17)19)14(20)16-8-10-18/h5-6,11,18H,1-4,7-10,15H2,(H,16,20)
InChIKeyXHBABLVOIDTDMW-UHFFFAOYSA-N
XLogP0.09
TPSA97.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(azepane-1-carbonyl)-1H-pyridin-2-one
CID 4788761
N-(2-hydroxy-3-(2-oxopyridin-1(2H)-yl)propyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 72719918
5-(azocane-1-carbonyl)-1H-pyridin-2-one
CID 25675266
N-(2-hydroxyethyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 54877498
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 107480333
N-hexyl-6-oxo-1H-pyridine-3-carboxamide
CID 24249840
N-(2-hydroxyethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 43389064
N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43417829
1-(2-hydroxyethyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
CID 57861748
N-tert-butyl-1-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide
CID 57861864
1-(2-hydroxypropyl)-6-oxo-N-propan-2-ylpyridine-3-carboxamide
CID 59842896
Tert-butyl (6-(5-((2-hydroxyethyl)carbamoyl)-2-oxopyridin-1(2h)-yl)hexyl)carbamate
CID 66988019

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide (CID 66988038) is 1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide is NCCCCCCn1cc(C(=O)NCCO)ccc1=O.
What is the InChIKey of 1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide?
The InChIKey is XHBABLVOIDTDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c15-7-3-1-2-4-9-17-11-12(5-6-13(17)19)14(20)16-8-10-18/h5-6,11,18H,1-4,7-10,15H2,(H,16,20).
What are the key properties of 1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide?
1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.09, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminohexyl)-N-(2-hydroxyethyl)-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 66988038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).