N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride

C15H25Cl2N3O — CID 154910386

IUPACN-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCc1ccccn1)C1CCCNCC1
InChIInChI=1S/C15H23N3O.2ClH/c19-15(13-5-3-9-16-12-8-13)18-11-4-7-14-6-1-2-10-17-14;;/h1-2,6,10,13,16H,3-5,7-9,11-12H2,(H,18,19);2*1H
InChIKeyFRZWSESPMMLQJU-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.36
Rot. Bonds5

About N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride

N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride (PubChem CID 154910386) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride
PubChem CID154910386
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC NameN-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCc1ccccn1)C1CCCNCC1
InChIInChI=1S/C15H23N3O.2ClH/c19-15(13-5-3-9-16-12-8-13)18-11-4-7-14-6-1-2-10-17-14;;/h1-2,6,10,13,16H,3-5,7-9,11-12H2,(H,18,19);2*1H
InChIKeyFRZWSESPMMLQJU-UHFFFAOYSA-N
XLogP2.36
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.36
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

N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide
CID 122565402
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(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide
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4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
CID 118760765
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
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1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
CID 110661120
N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]piperidine-3-carboxamide;dihydrochloride
CID 119873294

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride?
The IUPAC name of N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride (CID 154910386) is N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCCc1ccccn1)C1CCCNCC1.
What is the InChIKey of N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride?
The InChIKey is FRZWSESPMMLQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c19-15(13-5-3-9-16-12-8-13)18-11-4-7-14-6-1-2-10-17-14;;/h1-2,6,10,13,16H,3-5,7-9,11-12H2,(H,18,19);2*1H.
What are the key properties of N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride?
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide;dihydrochloride is sourced from PubChem (CID 154910386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).