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

C15H23N3O — CID 122565402

IUPACN-(3-pyridin-2-ylpropyl)azepane-4-carboxamide
SMILESO=C(NCCCc1ccccn1)C1CCCNCC1
InChIInChI=1S/C15H23N3O/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)
InChIKeyJYUROLKJYFSUFA-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.52
Rot. Bonds5

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

N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide (PubChem CID 122565402) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide.

Molecular Properties

Compound NameN-(3-pyridin-2-ylpropyl)azepane-4-carboxamide
PubChem CID122565402
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(3-pyridin-2-ylpropyl)azepane-4-carboxamide
SMILESO=C(NCCCc1ccccn1)C1CCCNCC1
InChIInChI=1S/C15H23N3O/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)
InChIKeyJYUROLKJYFSUFA-UHFFFAOYSA-N
XLogP1.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.52
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;dihydrochloride
CID 154910386
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide
CID 118773857
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286
(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide
CID 155501002
4-hydroxy-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 112530288
N-(3-pyridin-2-ylpropyl)morpholine-2-carboxamide;dihydrochloride
CID 154911195
1-(oxan-4-yl)-N-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide
CID 118760765
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
CID 110661120
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 56867752

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide?
The IUPAC name of N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide (CID 122565402) is N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide.
What is the SMILES notation for N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide?
The canonical SMILES for N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide is O=C(NCCCc1ccccn1)C1CCCNCC1.
What is the InChIKey of N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide?
The InChIKey is JYUROLKJYFSUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/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).
What are the key properties of N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide?
N-(3-pyridin-2-ylpropyl)azepane-4-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.52, 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 is sourced from PubChem (CID 122565402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).