N-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide

C24H27N3O — CID 101363803

IUPACN-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide
SMILESCCCCN(C(=O)c1ncc(C(C)C)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N3O/c1-4-5-16-27(20-14-10-7-11-15-20)24(28)23-22(19-12-8-6-9-13-19)26-21(17-25-23)18(2)3/h6-15,17-18H,4-5,16H2,1-3H3
InChIKeyJSVAFECLZWBJQR-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.71
Rot. Bonds7

About N-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide

N-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide (PubChem CID 101363803) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide
PubChem CID101363803
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide
SMILESCCCCN(C(=O)c1ncc(C(C)C)nc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N3O/c1-4-5-16-27(20-14-10-7-11-15-20)24(28)23-22(19-12-8-6-9-13-19)26-21(17-25-23)18(2)3/h6-15,17-18H,4-5,16H2,1-3H3
InChIKeyJSVAFECLZWBJQR-UHFFFAOYSA-N
XLogP5.71
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-5-methyl-N,3-diphenyl-1,2-oxazole-4-carboxamide
CID 17256808
N-butyl-6-fluoro-N-phenylpyridine-2-carboxamide
CID 115497112
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
N-butyl-6-(methylamino)-N-phenylpyridine-2-carboxamide
CID 64584654
N-butyl-N-phenyl-2-(propan-2-ylamino)acetamide
CID 64584219
4-amino-N-butyl-1-methyl-N-phenylpyrazole-3-carboxamide
CID 65355446
4-amino-N-butyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 64586918
2-(1-aminoethyl)-N-butyl-N-phenyl-1,3-thiazole-4-carboxamide
CID 66388418
N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
CID 64586177
5-amino-N-butyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 64585805
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
4-bromo-N-butyl-N-phenylbenzamide
CID 3934058

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of N-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide (CID 101363803) is N-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for N-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide is CCCCN(C(=O)c1ncc(C(C)C)nc1-c1ccccc1)c1ccccc1.
What is the InChIKey of N-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is JSVAFECLZWBJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-4-5-16-27(20-14-10-7-11-15-20)24(28)23-22(19-12-8-6-9-13-19)26-21(17-25-23)18(2)3/h6-15,17-18H,4-5,16H2,1-3H3.
What are the key properties of N-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide?
N-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,3-diphenyl-5-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 101363803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).