N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide

C21H21ClN4O — CID 109287680

IUPACN-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C21H21ClN4O/c1-15(2)26(14-16-8-4-3-5-9-16)21(27)19-12-24-20(13-23-19)25-18-11-7-6-10-17(18)22/h3-13,15H,14H2,1-2H3,(H,24,25)
InChIKeyFWPRKXNHIUYWMM-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.92
Rot. Bonds6

About N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide

N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 109287680) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID109287680
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc(Nc2ccccc2Cl)cn1
InChIInChI=1S/C21H21ClN4O/c1-15(2)26(14-16-8-4-3-5-9-16)21(27)19-12-24-20(13-23-19)25-18-11-7-6-10-17(18)22/h3-13,15H,14H2,1-2H3,(H,24,25)
InChIKeyFWPRKXNHIUYWMM-UHFFFAOYSA-N
XLogP4.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109287676
N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109287672
N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide
CID 103817103
5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide
CID 109287695
5-(2-chloroanilino)-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109290226
N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272218
N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109274885
5-(2-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282039
N-benzyl-5-(2-bromoanilino)-N-methylpyrazine-2-carboxamide
CID 109281131
N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide
CID 103817289
5-[(3,4-dichlorophenyl)methyl-propan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685188
5-(2-chloroanilino)-N-(4-ethylphenyl)pyrazine-2-carboxamide
CID 109291594

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide (CID 109287680) is N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cnc(Nc2ccccc2Cl)cn1.
What is the InChIKey of N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is FWPRKXNHIUYWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-15(2)26(14-16-8-4-3-5-9-16)21(27)19-12-24-20(13-23-19)25-18-11-7-6-10-17(18)22/h3-13,15H,14H2,1-2H3,(H,24,25).
What are the key properties of N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide?
N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109287680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).