5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide

C18H23BrN4O — CID 109288979

IUPAC5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(Nc2ccc(Br)c(C)c2)cn1
InChIInChI=1S/C18H23BrN4O/c1-4-8-23(9-5-2)18(24)16-11-21-17(12-20-16)22-14-6-7-15(19)13(3)10-14/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,21,22)
InChIKeyPPYGVAVAZINAEU-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.55
Rot. Bonds7

About 5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide

5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide (PubChem CID 109288979) has the molecular formula C18H23BrN4O and a molecular weight of 391.31 g/mol. Its IUPAC name is 5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
PubChem CID109288979
Molecular FormulaC18H23BrN4O
Molecular Weight391.31 g/mol
Exact Mass390.11
IUPAC Name5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(Nc2ccc(Br)c(C)c2)cn1
InChIInChI=1S/C18H23BrN4O/c1-4-8-23(9-5-2)18(24)16-11-21-17(12-20-16)22-14-6-7-15(19)13(3)10-14/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,21,22)
InChIKeyPPYGVAVAZINAEU-UHFFFAOYSA-N
XLogP4.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromo-3-methylanilino)-N-butylpyrazine-2-carboxamide
CID 109272503
5-(4-propan-2-ylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288923
5-(3-bromo-4-methylanilino)-N-butyl-N-methylpyrazine-2-carboxamide
CID 109288276
5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194687
5-(4-bromo-3-methylanilino)-N-tert-butylpyrazine-2-carboxamide
CID 109287309
5-(4-chloro-2-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288935
5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283613
N,N-dipropyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109288967
5-(4-bromo-3-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109294407
5-(2,5-dichloroanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288990
N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289084
N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109289002

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide?
The IUPAC name of 5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide (CID 109288979) is 5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide?
The canonical SMILES for 5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide is CCCN(CCC)C(=O)c1cnc(Nc2ccc(Br)c(C)c2)cn1.
What is the InChIKey of 5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide?
The InChIKey is PPYGVAVAZINAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O/c1-4-8-23(9-5-2)18(24)16-11-21-17(12-20-16)22-14-6-7-15(19)13(3)10-14/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,21,22).
What are the key properties of 5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide?
5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide has a molecular weight of 391.31 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide is sourced from PubChem (CID 109288979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).