6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid

C14H20N2O4 — CID 60933349

IUPAC6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid
SMILESCCCn1cc(NC(=O)CCCCC(=O)O)ccc1=O
InChIInChI=1S/C14H20N2O4/c1-2-9-16-10-11(7-8-13(16)18)15-12(17)5-3-4-6-14(19)20/h7-8,10H,2-6,9H2,1H3,(H,15,17)(H,19,20)
InChIKeyMVSRRDFLVGCBOG-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.84
Rot. Bonds8

About 6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid

6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid (PubChem CID 60933349) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid
PubChem CID60933349
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid
SMILESCCCn1cc(NC(=O)CCCCC(=O)O)ccc1=O
InChIInChI=1S/C14H20N2O4/c1-2-9-16-10-11(7-8-13(16)18)15-12(17)5-3-4-6-14(19)20/h7-8,10H,2-6,9H2,1H3,(H,15,17)(H,19,20)
InChIKeyMVSRRDFLVGCBOG-UHFFFAOYSA-N
XLogP1.84
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

N-(6-oxo-1-propyl-3-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 60928332
2-bromo-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 63680838
N-(6-oxo-1-propyl-3-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 54862555
5-hydroxy-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]pentanamide
CID 79199757
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
4-amino-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 81075823
2-(cyclopropylamino)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 54862565
4-chloro-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]butanamide
CID 63307515
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(propan-2-ylamino)butanamide
CID 54862576
1-amino-N-(6-oxo-1-propyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 65465309
6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide
CID 54863045
3,5-diamino-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 61103566

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid?
The IUPAC name of 6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid (CID 60933349) is 6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid.
What is the SMILES notation for 6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid?
The canonical SMILES for 6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid is CCCn1cc(NC(=O)CCCCC(=O)O)ccc1=O.
What is the InChIKey of 6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid?
The InChIKey is MVSRRDFLVGCBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-9-16-10-11(7-8-13(16)18)15-12(17)5-3-4-6-14(19)20/h7-8,10H,2-6,9H2,1H3,(H,15,17)(H,19,20).
What are the key properties of 6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid?
6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid is sourced from PubChem (CID 60933349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).