N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide

C18H23BrN4O — CID 109289084

IUPACN-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide
SMILESCCCN(CCC)c1cnc(C(=O)Nc2ccc(Br)c(C)c2)cn1
InChIInChI=1S/C18H23BrN4O/c1-4-8-23(9-5-2)17-12-20-16(11-21-17)18(24)22-14-6-7-15(19)13(3)10-14/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,24)
InChIKeyLSPMIQUSZQBSOO-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.43
Rot. Bonds7

About N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide

N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide (PubChem CID 109289084) has the molecular formula C18H23BrN4O and a molecular weight of 391.31 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide
PubChem CID109289084
Molecular FormulaC18H23BrN4O
Molecular Weight391.31 g/mol
Exact Mass390.11
IUPAC NameN-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide
SMILESCCCN(CCC)c1cnc(C(=O)Nc2ccc(Br)c(C)c2)cn1
InChIInChI=1S/C18H23BrN4O/c1-4-8-23(9-5-2)17-12-20-16(11-21-17)18(24)22-14-6-7-15(19)13(3)10-14/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,24)
InChIKeyLSPMIQUSZQBSOO-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289086
N-(4-bromo-3-methylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185609
N-[4-(diethylamino)-2-methylphenyl]-5-(dipropylamino)pyrazine-2-carboxamide
CID 109289101
N-(4-bromo-3-methylphenyl)-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272307
N-(4-bromo-3-methylphenyl)pyrazine-2-carboxamide
CID 3273013
N-(3-bromo-4-methylphenyl)-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290333
5-(4-bromo-3-methylanilino)-N,N-dipropylpyrazine-2-carboxamide
CID 109288979
5-anilino-N-(4-bromo-3-methylphenyl)pyridine-2-carboxamide
CID 109197124
N-(3-chlorophenyl)-5-(diethylamino)pyrazine-2-carboxamide
CID 109286897
5-[benzyl(ethyl)amino]-N-(3-chloro-4-methylphenyl)pyrazine-2-carboxamide
CID 109282885
N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175898
N-(4-bromophenyl)-6-(dipropylamino)-2-methylpyrimidine-4-carboxamide
CID 112847506

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide (CID 109289084) is N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide is CCCN(CCC)c1cnc(C(=O)Nc2ccc(Br)c(C)c2)cn1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide?
The InChIKey is LSPMIQUSZQBSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4O/c1-4-8-23(9-5-2)17-12-20-16(11-21-17)18(24)22-14-6-7-15(19)13(3)10-14/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,22,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide?
N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide has a molecular weight of 391.31 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-5-(dipropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109289084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).