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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).