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

C16H15BrN2O2 — CID 94810696

IUPACcis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCn1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)ccc1=O
InChIInChI=1S/C16H15BrN2O2/c1-19-9-12(5-6-15(19)20)18-16(21)14-8-13(14)10-3-2-4-11(17)7-10/h2-7,9,13-14H,8H2,1H3,(H,18,21)/t13-,14-/m1/s1
InChIKeyCEKTWTULCSKMLQ-ZIAGYGMSSA-N
MW347.21 g/mol
LogP2.89
Rot. Bonds3

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

cis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 94810696) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide
PubChem CID94810696
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Namecis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide
SMILESCn1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)ccc1=O
InChIInChI=1S/C16H15BrN2O2/c1-19-9-12(5-6-15(19)20)18-16(21)14-8-13(14)10-3-2-4-11(17)7-10/h2-7,9,13-14H,8H2,1H3,(H,18,21)/t13-,14-/m1/s1
InChIKeyCEKTWTULCSKMLQ-ZIAGYGMSSA-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

8-(3-Bromo-4-fluorophenyl)-5,11-dimethyl-2,5,11-triazatricyclo[7.3.0.03,7]dodeca-1(9),3(7)-diene-6,10-dione
CID 9952421
10-(3-Bromo-4-fluorophenyl)-2,3,4,5,6,7,8,10-octahydropyrido[4,3-b][1,6]naphthyridine-1,9-dione
CID 10135088
N-(1-methyl-6-oxo-3-pyridinyl)-3-phenylcyclobutane-1-carboxamide
CID 118741507
3-(4-fluorophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)butanamide
CID 75461905
4-(3-Bromo-4-fluorophenyl)-2,6-dimethyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carbonitrile
CID 9929466
4-(3-bromo-4-fluorophenyl)-3-cyano-2-methyl-4,6-dihydro[1,6]naphthyridin-5(1H)-one
CID 9946957
3-acetyl-4-(3-bromo-4-fluorophenyl)-2-methyl-4,6-dihydro[1,6]naphthyridin-5(1H)-one
CID 10270912
4-(3-Bromo-4-fluorophenyl)-6-(cyanomethyl)-2-methyl-5-oxo-1,4-dihydro-1,6-naphthyridine-3-carbonitrile
CID 57434310
4-[(4-Bromo-2-fluorophenyl)methyl]-1-cyclopropyl-5-fluoro-6-oxopyridine-3-carboxamide
CID 58360725
4-[(4-Bromo-2-fluorophenyl)methyl]-1-(cyclopropylmethyl)-5-methyl-6-oxopyridine-3-carboxamide
CID 58360746
4-[(4-Bromo-2-fluorophenyl)methyl]-1-(cyclopropylmethyl)-5-fluoro-6-oxopyridine-3-carboxamide
CID 58360818
4-[(4-Bromo-2-fluorophenyl)methyl]-1-(2-cyclopropylethyl)-5-fluoro-6-oxopyridine-3-carboxamide
CID 58360840

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide (CID 94810696) is cis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide is Cn1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)ccc1=O.
What is the InChIKey of cis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is CEKTWTULCSKMLQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-19-9-12(5-6-15(19)20)18-16(21)14-8-13(14)10-3-2-4-11(17)7-10/h2-7,9,13-14H,8H2,1H3,(H,18,21)/t13-,14-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(3-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 cis-(1R,2S)-2-(3-bromophenyl)-N-(1-methyl-6-oxo-3-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 94810696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).