1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide

C17H17BrN2O — CID 56817614

IUPAC1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C17H17BrN2O/c1-12-3-2-4-15(20-12)11-19-16(21)17(9-10-17)13-5-7-14(18)8-6-13/h2-8H,9-11H2,1H3,(H,19,21)
InChIKeyQAJUWGJCVBYORO-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.50
Rot. Bonds4

About 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide

1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide (PubChem CID 56817614) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
PubChem CID56817614
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CC2)n1
InChIInChI=1S/C17H17BrN2O/c1-12-3-2-4-15(20-12)11-19-16(21)17(9-10-17)13-5-7-14(18)8-6-13/h2-8H,9-11H2,1H3,(H,19,21)
InChIKeyQAJUWGJCVBYORO-UHFFFAOYSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide (CID 56817614) is 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide is Cc1cccc(CNC(=O)C2(c3ccc(Br)cc3)CC2)n1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is QAJUWGJCVBYORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-12-3-2-4-15(20-12)11-19-16(21)17(9-10-17)13-5-7-14(18)8-6-13/h2-8H,9-11H2,1H3,(H,19,21).
What are the key properties of 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 345.24 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56817614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).