N-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide

C14H11Br2N3O2 — CID 103756350

IUPACN-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ncc(Br)nc1Br)C1COc2ccccc2C1
InChIInChI=1S/C14H11Br2N3O2/c15-11-6-17-13(12(16)18-11)19-14(20)9-5-8-3-1-2-4-10(8)21-7-9/h1-4,6,9H,5,7H2,(H,17,19,20)
InChIKeyGXSQDFPLSCEIMO-UHFFFAOYSA-N
MW413.07 g/mol
LogP3.19
Rot. Bonds2

About N-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 103756350) has the molecular formula C14H11Br2N3O2 and a molecular weight of 413.07 g/mol. Its IUPAC name is N-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID103756350
Molecular FormulaC14H11Br2N3O2
Molecular Weight413.07 g/mol
Exact Mass410.92
IUPAC NameN-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ncc(Br)nc1Br)C1COc2ccccc2C1
InChIInChI=1S/C14H11Br2N3O2/c15-11-6-17-13(12(16)18-11)19-14(20)9-5-8-3-1-2-4-10(8)21-7-9/h1-4,6,9H,5,7H2,(H,17,19,20)
InChIKeyGXSQDFPLSCEIMO-UHFFFAOYSA-N
XLogP3.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578129
N-(4-chloro-2-pyridinyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 115627234
N-(2-chloropyrimidin-4-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 116798426
N-(2-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 81028513
N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 16648974
(3S)-N-(2-fluorophenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 40840512
N-(4-bromo-2-methylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 60675882
N-(5-pyridin-2-yl-4H-pyrazol-3-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 161095804
N-[4-(hydroxymethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 64795048
N-(4,6-dimethyl-2-pyridinyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22105811
N-(1H-indazol-7-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 46420816
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 103756350) is N-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ncc(Br)nc1Br)C1COc2ccccc2C1.
What is the InChIKey of N-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is GXSQDFPLSCEIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2N3O2/c15-11-6-17-13(12(16)18-11)19-14(20)9-5-8-3-1-2-4-10(8)21-7-9/h1-4,6,9H,5,7H2,(H,17,19,20).
What are the key properties of N-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 413.07 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dibromopyrazin-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 103756350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).