5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide

C17H21ClN4O — CID 109273358

IUPAC5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
SMILESCCC(C)Nc1cnc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H21ClN4O/c1-3-12(2)22-16-11-20-15(10-21-16)17(23)19-9-8-13-4-6-14(18)7-5-13/h4-7,10-12H,3,8-9H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyNEHQOCPPTRXVQT-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.31
Rot. Bonds7

About 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide

5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 109273358) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID109273358
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
SMILESCCC(C)Nc1cnc(C(=O)NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C17H21ClN4O/c1-3-12(2)22-16-11-20-15(10-21-16)17(23)19-9-8-13-4-6-14(18)7-5-13/h4-7,10-12H,3,8-9H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyNEHQOCPPTRXVQT-UHFFFAOYSA-N
XLogP3.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 109181634
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272973
N-[2-(4-chlorophenyl)ethyl]-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283914
N-[2-(4-methoxyphenyl)ethyl]-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271398
N-[2-(4-chlorophenyl)ethyl]-5-(2-methylanilino)pyrazine-2-carboxamide
CID 109285781
5-(4-acetylanilino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285808
N-[2-(4-chlorophenyl)ethyl]-5-(diethylamino)pyrazine-2-carboxamide
CID 109285769
N-[2-(4-chlorophenyl)ethyl]-5-(2,3-dimethylanilino)pyrazine-2-carboxamide
CID 109285792
5-(azepan-1-yl)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide
CID 109285779
5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283846
N-[2-(4-chlorophenyl)ethyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109285784
5-[(4-chlorophenyl)methylamino]-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109282099

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide (CID 109273358) is 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide is CCC(C)Nc1cnc(C(=O)NCCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is NEHQOCPPTRXVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-3-12(2)22-16-11-20-15(10-21-16)17(23)19-9-8-13-4-6-14(18)7-5-13/h4-7,10-12H,3,8-9H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide?
5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 332.83 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109273358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).