N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide

C15H16ClN3O — CID 103817103

IUPACN-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C15H16ClN3O/c1-11(2)19(10-12-6-4-3-5-7-12)15(20)13-8-18-14(16)9-17-13/h3-9,11H,10H2,1-2H3
InChIKeyANWIYBOWDWATOQ-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.18
Rot. Bonds4

About N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide

N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 103817103) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID103817103
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC NameN-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C15H16ClN3O/c1-11(2)19(10-12-6-4-3-5-7-12)15(20)13-8-18-14(16)9-17-13/h3-9,11H,10H2,1-2H3
InChIKeyANWIYBOWDWATOQ-UHFFFAOYSA-N
XLogP3.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide
CID 103817289
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CID 109287680
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685188
N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272218
N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109287676
N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109274885
5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide
CID 109287695
N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195430
N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109287672
N-benzyl-5-bromo-2-chloro-N-propan-2-ylpyridine-3-carboxamide
CID 62000992
N-benzyl-2-[(4-chlorophenyl)methylamino]-N-propan-2-ylpyrimidine-5-carboxamide
CID 109257696

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide (CID 103817103) is N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is ANWIYBOWDWATOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-11(2)19(10-12-6-4-3-5-7-12)15(20)13-8-18-14(16)9-17-13/h3-9,11H,10H2,1-2H3.
What are the key properties of N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide?
N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 103817103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).