N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide

C16H18ClN3O — CID 103817289

IUPACN-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C16H18ClN3O/c1-3-12(2)20(11-13-7-5-4-6-8-13)16(21)14-9-19-15(17)10-18-14/h4-10,12H,3,11H2,1-2H3
InChIKeyYFUBFLJWEFBMOG-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.57
Rot. Bonds5

About N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide

N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide (PubChem CID 103817289) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide
PubChem CID103817289
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C16H18ClN3O/c1-3-12(2)20(11-13-7-5-4-6-8-13)16(21)14-9-19-15(17)10-18-14/h4-10,12H,3,11H2,1-2H3
InChIKeyYFUBFLJWEFBMOG-UHFFFAOYSA-N
XLogP3.57
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide
CID 103817103
benzyl(butan-2-yl)carbamic acid
CID 18954164
N-benzyl-N-butan-2-yl-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625516
N-benzyl-N-butan-2-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55756219
N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109287680
N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide
CID 63998851
2-[(5-chloropyrazine-2-carbonyl)-methylamino]butanoic acid
CID 107371495
N-benzyl-N-butan-2-yl-2,6-dimethylpyridine-3-carboxamide
CID 55875368
2-(aminomethyl)-N-benzyl-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119688844
N-benzyl-N-butan-2-yl-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55520934
N-benzyl-N-butan-2-ylbutanamide
CID 60717440
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide?
The IUPAC name of N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide (CID 103817289) is N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide is CCC(C)N(Cc1ccccc1)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide?
The InChIKey is YFUBFLJWEFBMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-12(2)20(11-13-7-5-4-6-8-13)16(21)14-9-19-15(17)10-18-14/h4-10,12H,3,11H2,1-2H3.
What are the key properties of N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide?
N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-5-chloropyrazine-2-carboxamide is sourced from PubChem (CID 103817289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).