N-(3-amino-4-pyridinyl)cyclooctanecarboxamide

C14H21N3O — CID 65019463

IUPACN-(3-amino-4-pyridinyl)cyclooctanecarboxamide
SMILESNc1cnccc1NC(=O)C1CCCCCCC1
InChIInChI=1S/C14H21N3O/c15-12-10-16-9-8-13(12)17-14(18)11-6-4-2-1-3-5-7-11/h8-11H,1-7,15H2,(H,16,17,18)
InChIKeyNBOMXTVKTOEHFV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.96
Rot. Bonds2

About N-(3-amino-4-pyridinyl)cyclooctanecarboxamide

N-(3-amino-4-pyridinyl)cyclooctanecarboxamide (PubChem CID 65019463) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)cyclooctanecarboxamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)cyclooctanecarboxamide
PubChem CID65019463
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(3-amino-4-pyridinyl)cyclooctanecarboxamide
SMILESNc1cnccc1NC(=O)C1CCCCCCC1
InChIInChI=1S/C14H21N3O/c15-12-10-16-9-8-13(12)17-14(18)11-6-4-2-1-3-5-7-11/h8-11H,1-7,15H2,(H,16,17,18)
InChIKeyNBOMXTVKTOEHFV-UHFFFAOYSA-N
XLogP2.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 64913582
N-(3-amino-4-pyridinyl)-2-cyclopropylpropanamide
CID 83147600
N-(4-chloro-3-pyridinyl)cyclopropanecarboxamide
CID 78965831
cyclopropylcarbamoyl N-(3-amino-4-pyridinyl)carbamate
CID 150110347
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-(5-amino-2-pyridinyl)cycloheptanecarboxamide
CID 62586115
N-(4-amino-2-hydroxyphenyl)cyclohexanecarboxamide
CID 53338609
N-(4-amino-3-hydroxyphenyl)cyclohexanecarboxamide
CID 143616752
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895
N-(3-amino-4-pyridinyl)-2-(thian-4-yl)acetamide
CID 83145658
N-(3-methyl-4-pyridinyl)piperidine-4-carboxamide
CID 63670702
N-(3-amino-4-pyridinyl)-N-methylcycloheptanecarboxamide
CID 62585945

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)cyclooctanecarboxamide?
The IUPAC name of N-(3-amino-4-pyridinyl)cyclooctanecarboxamide (CID 65019463) is N-(3-amino-4-pyridinyl)cyclooctanecarboxamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)cyclooctanecarboxamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)cyclooctanecarboxamide is Nc1cnccc1NC(=O)C1CCCCCCC1.
What is the InChIKey of N-(3-amino-4-pyridinyl)cyclooctanecarboxamide?
The InChIKey is NBOMXTVKTOEHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-12-10-16-9-8-13(12)17-14(18)11-6-4-2-1-3-5-7-11/h8-11H,1-7,15H2,(H,16,17,18).
What are the key properties of N-(3-amino-4-pyridinyl)cyclooctanecarboxamide?
N-(3-amino-4-pyridinyl)cyclooctanecarboxamide has a molecular weight of 247.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)cyclooctanecarboxamide is sourced from PubChem (CID 65019463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).