7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride

C14H24ClN3O — CID 119998836

IUPAC7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
SMILESCC(NC(=O)CCCCCCN)c1cccnc1.Cl
InChIInChI=1S/C14H23N3O.ClH/c1-12(13-7-6-10-16-11-13)17-14(18)8-4-2-3-5-9-15;/h6-7,10-12H,2-5,8-9,15H2,1H3,(H,17,18);1H
InChIKeyOSGIRBDRUAYZKP-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.59
Rot. Bonds8

About 7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride

7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride (PubChem CID 119998836) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
PubChem CID119998836
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
SMILESCC(NC(=O)CCCCCCN)c1cccnc1.Cl
InChIInChI=1S/C14H23N3O.ClH/c1-12(13-7-6-10-16-11-13)17-14(18)8-4-2-3-5-9-15;/h6-7,10-12H,2-5,8-9,15H2,1H3,(H,17,18);1H
InChIKeyOSGIRBDRUAYZKP-UHFFFAOYSA-N
XLogP2.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide
CID 94172677
6-oxo-6-phenyl-N-(1-pyridin-3-ylethyl)hexanamide
CID 51085829
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
6-amino-N-[1-(4-hydroxyphenyl)ethyl]hexanamide;hydrochloride
CID 51041246
5-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]pentanamide
CID 94661779
4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 51193160
6-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]hexanamide
CID 81366520
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride (CID 119998836) is 7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride is CC(NC(=O)CCCCCCN)c1cccnc1.Cl.
What is the InChIKey of 7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride?
The InChIKey is OSGIRBDRUAYZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.ClH/c1-12(13-7-6-10-16-11-13)17-14(18)8-4-2-3-5-9-15;/h6-7,10-12H,2-5,8-9,15H2,1H3,(H,17,18);1H.
What are the key properties of 7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride?
7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride is sourced from PubChem (CID 119998836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).