2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide

C16H15BrN4O — CID 171855042

IUPAC2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide
SMILESN#Cc1c(N)c(C(=O)Nc2ccc(Br)cc2)n2c1CCCC2
InChIInChI=1S/C16H15BrN4O/c17-10-4-6-11(7-5-10)20-16(22)15-14(19)12(9-18)13-3-1-2-8-21(13)15/h4-7H,1-3,8,19H2,(H,20,22)
InChIKeyLKZAVLNZPKEKBH-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.29
Rot. Bonds2

About 2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide

2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide (PubChem CID 171855042) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is 2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide
PubChem CID171855042
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC Name2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide
SMILESN#Cc1c(N)c(C(=O)Nc2ccc(Br)cc2)n2c1CCCC2
InChIInChI=1S/C16H15BrN4O/c17-10-4-6-11(7-5-10)20-16(22)15-14(19)12(9-18)13-3-1-2-8-21(13)15/h4-7H,1-3,8,19H2,(H,20,22)
InChIKeyLKZAVLNZPKEKBH-UHFFFAOYSA-N
XLogP3.29
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-3-benzoyl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 759944
2-(benzylideneamino)-N-(4-bromophenyl)-1-cyano-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155523362
N-(4-bromophenyl)-1-cyano-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155527652
1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide
CID 155553481
1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide
CID 155565228
N-(4-bromophenyl)-1-cyano-2-(3-methylbutylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155569262
3-(4-Bromophenyl)-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile
CID 164615392
2-Methyl-4-oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile
CID 164622485
3-(4-Bromophenyl)-2-methyl-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile
CID 164625936
4-Oxo-3-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile
CID 164626063
3-Benzyl-4-oxo-3,4,6,7,8,9-hexahydropyrimido[4,5-b]indolizine-10-carbonitrile
CID 755498
3-[2-(4-Bromophenyl)-2-oxoethyl]-4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]indolizine-10-carbonitrile
CID 1882779

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide?
The IUPAC name of 2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide (CID 171855042) is 2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide?
The canonical SMILES for 2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide is N#Cc1c(N)c(C(=O)Nc2ccc(Br)cc2)n2c1CCCC2.
What is the InChIKey of 2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide?
The InChIKey is LKZAVLNZPKEKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c17-10-4-6-11(7-5-10)20-16(22)15-14(19)12(9-18)13-3-1-2-8-21(13)15/h4-7H,1-3,8,19H2,(H,20,22).
What are the key properties of 2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide?
2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide has a molecular weight of 359.23 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromophenyl)-1-cyano-5,6,7,8-tetrahydroindolizine-3-carboxamide is sourced from PubChem (CID 171855042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).