5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide

C19H23ClN4O — CID 109285779

IUPAC5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cnc(N2CCCCCC2)cn1
InChIInChI=1S/C19H23ClN4O/c20-16-7-5-15(6-8-16)9-10-21-19(25)17-13-23-18(14-22-17)24-11-3-1-2-4-12-24/h5-8,13-14H,1-4,9-12H2,(H,21,25)
InChIKeyBRNFJFYDEVDJQL-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.48
Rot. Bonds5

About 5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide

5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109285779) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109285779
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cnc(N2CCCCCC2)cn1
InChIInChI=1S/C19H23ClN4O/c20-16-7-5-15(6-8-16)9-10-21-19(25)17-13-23-18(14-22-17)24-11-3-1-2-4-12-24/h5-8,13-14H,1-4,9-12H2,(H,21,25)
InChIKeyBRNFJFYDEVDJQL-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109289339
4-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109215435
N-(3-methylbutyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274517
N-pentyl-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274518
N-[(4-chlorophenyl)methyl]-5-(4-formylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278887
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283539
5-(azepan-1-yl)-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 109276095
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322300
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109273358
2-(4-chlorophenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 16890076
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621

Frequently Asked Questions

What is the IUPAC name of 5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide (CID 109285779) is 5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1cnc(N2CCCCCC2)cn1.
What is the InChIKey of 5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is BRNFJFYDEVDJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-16-7-5-15(6-8-16)9-10-21-19(25)17-13-23-18(14-22-17)24-11-3-1-2-4-12-24/h5-8,13-14H,1-4,9-12H2,(H,21,25).
What are the key properties of 5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109285779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).