7-amino-N-(2-methoxy-3-pyridinyl)heptanamide

C13H21N3O2 — CID 43708890

IUPAC7-amino-N-(2-methoxy-3-pyridinyl)heptanamide
SMILESCOc1ncccc1NC(=O)CCCCCCN
InChIInChI=1S/C13H21N3O2/c1-18-13-11(7-6-10-15-13)16-12(17)8-4-2-3-5-9-14/h6-7,10H,2-5,8-9,14H2,1H3,(H,16,17)
InChIKeySHYIYQPPAMCVDL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.94
Rot. Bonds8

About 7-amino-N-(2-methoxy-3-pyridinyl)heptanamide

7-amino-N-(2-methoxy-3-pyridinyl)heptanamide (PubChem CID 43708890) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 7-amino-N-(2-methoxy-3-pyridinyl)heptanamide.

Molecular Properties

Compound Name7-amino-N-(2-methoxy-3-pyridinyl)heptanamide
PubChem CID43708890
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name7-amino-N-(2-methoxy-3-pyridinyl)heptanamide
SMILESCOc1ncccc1NC(=O)CCCCCCN
InChIInChI=1S/C13H21N3O2/c1-18-13-11(7-6-10-15-13)16-12(17)8-4-2-3-5-9-14/h6-7,10H,2-5,8-9,14H2,1H3,(H,16,17)
InChIKeySHYIYQPPAMCVDL-UHFFFAOYSA-N
XLogP1.94
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.94
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

6-amino-N-[2-(dimethylamino)-3-pyridinyl]hexanamide
CID 43706742
2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
methyl 2-(7-aminoheptanoylamino)benzoate
CID 43579295
7-amino-N-(2-pyrazol-1-yl-3-pyridinyl)heptanamide
CID 43714218
2-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxy-3-pyridinyl)acetamide
CID 110204770
3-amino-N-(2-methoxy-3-pyridinyl)-3-phenylpropanamide
CID 43708900
3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid
CID 122442933
2-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)acetamide
CID 47043618
7-amino-N-(2-methylphenyl)heptanamide;hydrochloride
CID 119670447
3-amino-N-(2-methyl-3-pyridinyl)propanamide
CID 79042008
trans-(1S,2S)-N-[3-[(2-methoxy-3-pyridinyl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94199881

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(2-methoxy-3-pyridinyl)heptanamide?
The IUPAC name of 7-amino-N-(2-methoxy-3-pyridinyl)heptanamide (CID 43708890) is 7-amino-N-(2-methoxy-3-pyridinyl)heptanamide.
What is the SMILES notation for 7-amino-N-(2-methoxy-3-pyridinyl)heptanamide?
The canonical SMILES for 7-amino-N-(2-methoxy-3-pyridinyl)heptanamide is COc1ncccc1NC(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-(2-methoxy-3-pyridinyl)heptanamide?
The InChIKey is SHYIYQPPAMCVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-18-13-11(7-6-10-15-13)16-12(17)8-4-2-3-5-9-14/h6-7,10H,2-5,8-9,14H2,1H3,(H,16,17).
What are the key properties of 7-amino-N-(2-methoxy-3-pyridinyl)heptanamide?
7-amino-N-(2-methoxy-3-pyridinyl)heptanamide has a molecular weight of 251.33 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(2-methoxy-3-pyridinyl)heptanamide is sourced from PubChem (CID 43708890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).