cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide

C10H11BrN2O — CID 42564426

IUPACcis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C10H11BrN2O/c1-6-4-8(6)10(14)13-9-3-2-7(11)5-12-9/h2-3,5-6,8H,4H2,1H3,(H,12,13,14)/t6-,8+/m1/s1
InChIKeyQUBHNDUWMCHAGR-SVRRBLITSA-N
MW255.12 g/mol
LogP2.44
Rot. Bonds2

About cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide

cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide (PubChem CID 42564426) has the molecular formula C10H11BrN2O and a molecular weight of 255.12 g/mol. Its IUPAC name is cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
PubChem CID42564426
Molecular FormulaC10H11BrN2O
Molecular Weight255.12 g/mol
Exact Mass254.01
IUPAC Namecis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)Nc1ccc(Br)cn1
InChIInChI=1S/C10H11BrN2O/c1-6-4-8(6)10(14)13-9-3-2-7(11)5-12-9/h2-3,5-6,8H,4H2,1H3,(H,12,13,14)/t6-,8+/m1/s1
InChIKeyQUBHNDUWMCHAGR-SVRRBLITSA-N
XLogP2.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromo-2-pyridinyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511914
trans-(1R,3R)-3-[(5-bromo-2-pyridinyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 95401107
methyl 4-[(5-bromo-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylate
CID 58577910
5-[(5-bromo-2-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688642
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
N-[5-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-pyridinyl]-2-methylcyclopropane-1-carboxamide
CID 84583874
N-(3-bromoquinolin-8-yl)-2-methylcyclopropane-1-carboxamide
CID 116784759
N-(5-bromo-2-pyridinyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 80501510
N-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115281171
cis-(1R,2S)-N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 167944765
(E)-4-bromo-N-(5-bromo-2-pyridinyl)but-2-enamide
CID 134562646

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide (CID 42564426) is cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)Nc1ccc(Br)cn1.
What is the InChIKey of cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is QUBHNDUWMCHAGR-SVRRBLITSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-6-4-8(6)10(14)13-9-3-2-7(11)5-12-9/h2-3,5-6,8H,4H2,1H3,(H,12,13,14)/t6-,8+/m1/s1.
What are the key properties of cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 255.12 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(5-bromo-2-pyridinyl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 42564426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).