3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide

C17H22ClN5O — CID 87387992

IUPAC3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide
SMILESCC(C)CCNc1nc(N)c(C(=O)NCc2ccccc2)nc1Cl
InChIInChI=1S/C17H22ClN5O/c1-11(2)8-9-20-16-14(18)22-13(15(19)23-16)17(24)21-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,21,24)(H3,19,20,23)
InChIKeyHRZZRNPTIOAVIQ-UHFFFAOYSA-N
MW347.85 g/mol
LogP3.10
Rot. Bonds7

About 3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide

3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide (PubChem CID 87387992) has the molecular formula C17H22ClN5O and a molecular weight of 347.85 g/mol. Its IUPAC name is 3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide
PubChem CID87387992
Molecular FormulaC17H22ClN5O
Molecular Weight347.85 g/mol
Exact Mass347.15
IUPAC Name3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide
SMILESCC(C)CCNc1nc(N)c(C(=O)NCc2ccccc2)nc1Cl
InChIInChI=1S/C17H22ClN5O/c1-11(2)8-9-20-16-14(18)22-13(15(19)23-16)17(24)21-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,21,24)(H3,19,20,23)
InChIKeyHRZZRNPTIOAVIQ-UHFFFAOYSA-N
XLogP3.10
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109155596
3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 45255602
3-amino-N-benzyl-7-methylquinoxaline-2-carboxamide
CID 58247232
3-amino-6-chloro-5-[methyl(2-methylpropyl)amino]-N-phenylpyrazine-2-carboxamide
CID 45254967
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306057
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109257600
N-[(4-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109329037
N-benzyl-4-chloro-2-methylsulfanyl-6-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 15979683
2-benzamidoethyl-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl]-dimethylazanium
CID 58398769
2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402
N-benzyl-2,4,5,6-tetrachloropyridine-3-carboxamide
CID 628678
methyl 3-amino-5-anilino-6-chloropyrazine-2-carboxylate
CID 95561624

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide (CID 87387992) is 3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide is CC(C)CCNc1nc(N)c(C(=O)NCc2ccccc2)nc1Cl.
What is the InChIKey of 3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide?
The InChIKey is HRZZRNPTIOAVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O/c1-11(2)8-9-20-16-14(18)22-13(15(19)23-16)17(24)21-10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,21,24)(H3,19,20,23).
What are the key properties of 3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide?
3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide has a molecular weight of 347.85 g/mol, XLogP of 3.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-6-chloro-5-(3-methylbutylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 87387992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).