N-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide

C18H20N4O2 — CID 53166582

IUPACN-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide
SMILESO=C(Nc1nccnc1C(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C18H20N4O2/c23-17(14-8-4-3-5-9-14)21-16-15(19-10-11-20-16)18(24)22-12-6-1-2-7-13-22/h3-5,8-11H,1-2,6-7,12-13H2,(H,20,21,23)
InChIKeyOKKPRCUDNOUSTN-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.75
Rot. Bonds3

About N-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide

N-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide (PubChem CID 53166582) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide
PubChem CID53166582
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide
SMILESO=C(Nc1nccnc1C(=O)N1CCCCCC1)c1ccccc1
InChIInChI=1S/C18H20N4O2/c23-17(14-8-4-3-5-9-14)21-16-15(19-10-11-20-16)18(24)22-12-6-1-2-7-13-22/h3-5,8-11H,1-2,6-7,12-13H2,(H,20,21,23)
InChIKeyOKKPRCUDNOUSTN-UHFFFAOYSA-N
XLogP2.75
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
N-[3-(4-benzylpiperidine-1-carbonyl)pyrazin-2-yl]-4-methoxybenzamide
CID 53166526
3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
N-[5-(piperidine-1-carbonyl)-1H-indazol-3-yl]benzamide
CID 129094014
N-phenyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044285
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
N-[3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]pyrazin-2-yl]-4-methylbenzamide
CID 53166503
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide?
The IUPAC name of N-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide (CID 53166582) is N-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide.
What is the SMILES notation for N-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide?
The canonical SMILES for N-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide is O=C(Nc1nccnc1C(=O)N1CCCCCC1)c1ccccc1.
What is the InChIKey of N-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide?
The InChIKey is OKKPRCUDNOUSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17(14-8-4-3-5-9-14)21-16-15(19-10-11-20-16)18(24)22-12-6-1-2-7-13-22/h3-5,8-11H,1-2,6-7,12-13H2,(H,20,21,23).
What are the key properties of N-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide?
N-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide has a molecular weight of 324.38 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepane-1-carbonyl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 53166582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).