5-(azepan-4-ylamino)benzene-1,3-dicarboxamide

C14H20N4O2 — CID 103980762

IUPAC5-(azepan-4-ylamino)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NC2CCCNCC2)cc(C(N)=O)c1
InChIInChI=1S/C14H20N4O2/c15-13(19)9-6-10(14(16)20)8-12(7-9)18-11-2-1-4-17-5-3-11/h6-8,11,17-18H,1-5H2,(H2,15,19)(H2,16,20)
InChIKeyRWFUIBOFPOGUBR-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.44
Rot. Bonds4

About 5-(azepan-4-ylamino)benzene-1,3-dicarboxamide

5-(azepan-4-ylamino)benzene-1,3-dicarboxamide (PubChem CID 103980762) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(azepan-4-ylamino)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-(azepan-4-ylamino)benzene-1,3-dicarboxamide
PubChem CID103980762
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-(azepan-4-ylamino)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(NC2CCCNCC2)cc(C(N)=O)c1
InChIInChI=1S/C14H20N4O2/c15-13(19)9-6-10(14(16)20)8-12(7-9)18-11-2-1-4-17-5-3-11/h6-8,11,17-18H,1-5H2,(H2,15,19)(H2,16,20)
InChIKeyRWFUIBOFPOGUBR-UHFFFAOYSA-N
XLogP0.44
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-4-ylamino)benzoic acid
CID 103980877
4-(azepan-4-ylamino)-3-chlorobenzamide
CID 23068137
4-(azepan-4-ylamino)-2-chlorobenzamide
CID 103981405
5-(piperidine-4-carbonylamino)benzene-1,3-dicarboxamide
CID 61276320
4-(azepan-4-ylamino)-2-methoxybenzamide
CID 23068034
N-(3,5-dichloro-4-fluorophenyl)azepan-4-amine
CID 107572825
N-(3-chlorophenyl)azepan-4-amine
CID 105482710
1-[4-(azepan-4-ylamino)phenyl]-3-methylurea
CID 103981461
2-(azepan-4-ylamino)-6-bromobenzamide
CID 107173668
N-(3,4,5-trimethoxyphenyl)azepan-4-amine
CID 103980388
5-[(2-methylcyclohexyl)amino]benzene-1,3-dicarboxamide
CID 43206245
N-(3-propan-2-ylphenyl)azepan-4-amine
CID 113361401

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-4-ylamino)benzene-1,3-dicarboxamide?
The IUPAC name of 5-(azepan-4-ylamino)benzene-1,3-dicarboxamide (CID 103980762) is 5-(azepan-4-ylamino)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-(azepan-4-ylamino)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-(azepan-4-ylamino)benzene-1,3-dicarboxamide is NC(=O)c1cc(NC2CCCNCC2)cc(C(N)=O)c1.
What is the InChIKey of 5-(azepan-4-ylamino)benzene-1,3-dicarboxamide?
The InChIKey is RWFUIBOFPOGUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-13(19)9-6-10(14(16)20)8-12(7-9)18-11-2-1-4-17-5-3-11/h6-8,11,17-18H,1-5H2,(H2,15,19)(H2,16,20).
What are the key properties of 5-(azepan-4-ylamino)benzene-1,3-dicarboxamide?
5-(azepan-4-ylamino)benzene-1,3-dicarboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-4-ylamino)benzene-1,3-dicarboxamide is sourced from PubChem (CID 103980762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).