N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide

C17H18ClN5O2 — CID 110813242

IUPACN-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C17H18ClN5O2/c18-13-2-4-14(5-3-13)21-17(25)23-9-1-8-22(10-11-23)16(24)15-12-19-6-7-20-15/h2-7,12H,1,8-11H2,(H,21,25)
InChIKeyQGBMAOKCOVLAPR-UHFFFAOYSA-N
MW359.82 g/mol
LogP2.51
Rot. Bonds2

About N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide

N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide (PubChem CID 110813242) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide
PubChem CID110813242
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC NameN-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C17H18ClN5O2/c18-13-2-4-14(5-3-13)21-17(25)23-9-1-8-22(10-11-23)16(24)15-12-19-6-7-20-15/h2-7,12H,1,8-11H2,(H,21,25)
InChIKeyQGBMAOKCOVLAPR-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 55862707
3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108536947
N-(4-chlorophenyl)-4-(2,2-difluoroacetyl)-1,4-diazepane-1-carboxamide
CID 99841434
2-(azepane-1-carbonyl)-N-(4-chlorophenyl)pyridine-4-carboxamide
CID 109090752
1-[4-[4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 110816085
N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide
CID 90636300
(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
2,2-diphenyl-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108544412
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 110816131
[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-pyrazin-2-ylmethanone
CID 95751558
N-(4-chlorophenyl)-4-ethylsulfonyl-1,4-diazepane-1-carboxamide
CID 47812768

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide (CID 110813242) is N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide?
The InChIKey is QGBMAOKCOVLAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c18-13-2-4-14(5-3-13)21-17(25)23-9-1-8-22(10-11-23)16(24)15-12-19-6-7-20-15/h2-7,12H,1,8-11H2,(H,21,25).
What are the key properties of N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide?
N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide has a molecular weight of 359.82 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110813242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).