6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide

C12H19N3O2 — CID 54863045

IUPAC6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide
SMILESCn1cc(NC(=O)CCCCCN)ccc1=O
InChIInChI=1S/C12H19N3O2/c1-15-9-10(6-7-12(15)17)14-11(16)5-3-2-4-8-13/h6-7,9H,2-5,8,13H2,1H3,(H,14,16)
InChIKeyLGPHQZQXQVKDAO-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.84
Rot. Bonds6

About 6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide

6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide (PubChem CID 54863045) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide
PubChem CID54863045
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide
SMILESCn1cc(NC(=O)CCCCCN)ccc1=O
InChIInChI=1S/C12H19N3O2/c1-15-9-10(6-7-12(15)17)14-11(16)5-3-2-4-8-13/h6-7,9H,2-5,8,13H2,1H3,(H,14,16)
InChIKeyLGPHQZQXQVKDAO-UHFFFAOYSA-N
XLogP0.84
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.84
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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Related Compounds

4-chloro-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 63307637
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
N-(1-methyl-6-oxo-3-pyridinyl)-3-(4-methylphenyl)propanamide
CID 110725063
3-(2-fluorophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 47067445
7-amino-N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]heptanamide;hydrochloride
CID 119723855
3-(2-aminophenoxy)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 61103909
3-(3-aminophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)propanamide
CID 80700526
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
4-(6-aminohexanoylamino)benzamide
CID 24702559
ethyl N-[4-(6-aminohexanoylamino)phenyl]carbamate
CID 43706422
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
7-amino-N-(4-anilinophenyl)heptanamide
CID 119676142

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide?
The IUPAC name of 6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide (CID 54863045) is 6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide.
What is the SMILES notation for 6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide?
The canonical SMILES for 6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide is Cn1cc(NC(=O)CCCCCN)ccc1=O.
What is the InChIKey of 6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide?
The InChIKey is LGPHQZQXQVKDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15-9-10(6-7-12(15)17)14-11(16)5-3-2-4-8-13/h6-7,9H,2-5,8,13H2,1H3,(H,14,16).
What are the key properties of 6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide?
6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide has a molecular weight of 237.30 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(1-methyl-6-oxo-3-pyridinyl)hexanamide is sourced from PubChem (CID 54863045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).