2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide

C13H19N3O2 — CID 170110523

IUPAC2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide
SMILESNC1=C(C(=O)NC2CCCCNC2=O)C=CCC1
InChIInChI=1S/C13H19N3O2/c14-10-6-2-1-5-9(10)12(17)16-11-7-3-4-8-15-13(11)18/h1,5,11H,2-4,6-8,14H2,(H,15,18)(H,16,17)
InChIKeyPEJUYPTYGABCKU-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.33
Rot. Bonds2

About 2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide

2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 170110523) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID170110523
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide
SMILESNC1=C(C(=O)NC2CCCCNC2=O)C=CCC1
InChIInChI=1S/C13H19N3O2/c14-10-6-2-1-5-9(10)12(17)16-11-7-3-4-8-15-13(11)18/h1,5,11H,2-4,6-8,14H2,(H,15,18)(H,16,17)
InChIKeyPEJUYPTYGABCKU-UHFFFAOYSA-N
XLogP0.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-fluoro-N-(2-oxoazepan-3-yl)benzamide
CID 43704077
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
6-oxo-N-(2-oxoazepan-3-yl)-1H-pyridine-2-carboxamide
CID 107262114
3-amino-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 113447702
5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 55033252
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide
CID 113257291
N-[(3S)-2-oxoazepan-3-yl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 97198109
5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride
CID 120626685
6-amino-N-(2-oxopiperidin-3-yl)pyridazine-3-carboxamide
CID 55041508

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide (CID 170110523) is 2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide is NC1=C(C(=O)NC2CCCCNC2=O)C=CCC1.
What is the InChIKey of 2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is PEJUYPTYGABCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-10-6-2-1-5-9(10)12(17)16-11-7-3-4-8-15-13(11)18/h1,5,11H,2-4,6-8,14H2,(H,15,18)(H,16,17).
What are the key properties of 2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide?
2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-oxoazepan-3-yl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 170110523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).