N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide

C15H19N3O2 — CID 79152659

IUPACN-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide
SMILESO=C(Nc1cccc(C#CCO)n1)N1CCCCCC1
InChIInChI=1S/C15H19N3O2/c19-12-6-8-13-7-5-9-14(16-13)17-15(20)18-10-3-1-2-4-11-18/h5,7,9,19H,1-4,10-12H2,(H,16,17,20)
InChIKeyUELWWIFDAPCUBM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.83
Rot. Bonds1

About N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide

N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide (PubChem CID 79152659) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide
PubChem CID79152659
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide
SMILESO=C(Nc1cccc(C#CCO)n1)N1CCCCCC1
InChIInChI=1S/C15H19N3O2/c19-12-6-8-13-7-5-9-14(16-13)17-15(20)18-10-3-1-2-4-11-18/h5,7,9,19H,1-4,10-12H2,(H,16,17,20)
InChIKeyUELWWIFDAPCUBM-UHFFFAOYSA-N
XLogP1.83
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]piperidine-1-carboxamide
CID 79155648
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]azepane-1-carboxamide
CID 79157673
1-ethyl-3-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]urea
CID 60814714
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide
CID 79214082
5-chloro-2-hydroxy-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 60803839
5-ethyl-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]furan-2-carboxamide
CID 79096364
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60805086
5-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridine-3-carboxamide
CID 104786279
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]-1-methylcyclohexane-1-carboxamide
CID 106828195
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60804378
3-chloro-4-fluoro-N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 82876344
N-[6-(4-hydroxybut-1-ynyl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 60814440

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide?
The IUPAC name of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide (CID 79152659) is N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide.
What is the SMILES notation for N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide?
The canonical SMILES for N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide is O=C(Nc1cccc(C#CCO)n1)N1CCCCCC1.
What is the InChIKey of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide?
The InChIKey is UELWWIFDAPCUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-12-6-8-13-7-5-9-14(16-13)17-15(20)18-10-3-1-2-4-11-18/h5,7,9,19H,1-4,10-12H2,(H,16,17,20).
What are the key properties of N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide?
N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxyprop-1-ynyl)-2-pyridinyl]azepane-1-carboxamide is sourced from PubChem (CID 79152659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).