trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide

C16H15BrN2O2 — CID 94812943

IUPACtrans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCn1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)ccc1=O
InChIInChI=1S/C16H15BrN2O2/c1-19-9-12(6-7-15(19)20)18-16(21)14-8-13(14)10-2-4-11(17)5-3-10/h2-7,9,13-14H,8H2,1H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyRRYJPCPXWCXIQH-KGLIPLIRSA-N
MW347.21 g/mol
LogP2.89
Rot. Bonds3

About trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 94812943) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID94812943
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Nametrans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCn1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)ccc1=O
InChIInChI=1S/C16H15BrN2O2/c1-19-9-12(6-7-15(19)20)18-16(21)14-8-13(14)10-2-4-11(17)5-3-10/h2-7,9,13-14H,8H2,1H3,(H,18,21)/t13-,14+/m1/s1
InChIKeyRRYJPCPXWCXIQH-KGLIPLIRSA-N
XLogP2.89
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide
CID 94810696
cis-(1R,2S)-2-(4-bromophenyl)-N-methylcyclopropane-1-carboxamide
CID 129348369
cis-(1S,2R)-2-(4-bromophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94814319
4-amino-N-(1-methyl-6-oxo-3-pyridinyl)oxolane-3-carboxamide
CID 66239661
trans-(1R,2R)-2-(4-bromophenyl)-N-(2,5-dimethylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94811638
cis-(1S,2R)-N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 96564771
N-(1-methyl-6-oxo-3-pyridinyl)cyclobutanecarboxamide
CID 47341780
trans-(1S,2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96522930
(2R,3R)-2-ethyl-N-(1-methyl-6-oxo-3-pyridinyl)oxane-3-carboxamide
CID 129479241
trans-(1R,2R)-2-(4-bromophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 97011933
cis-(1R,2S)-N-(4-acetamidophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7071046
cis-(1S,2R)-2-(4-bromophenyl)-N-ethoxycyclopropane-1-carboxamide
CID 94811517

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide (CID 94812943) is trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide is Cn1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)ccc1=O.
What is the InChIKey of trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is RRYJPCPXWCXIQH-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-19-9-12(6-7-15(19)20)18-16(21)14-8-13(14)10-2-4-11(17)5-3-10/h2-7,9,13-14H,8H2,1H3,(H,18,21)/t13-,14+/m1/s1.
What are the key properties of trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 347.21 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 94812943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).