4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide

C17H18BrN3O — CID 113024450

IUPAC4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NC2CCCC2)cn1)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3O/c18-13-7-5-12(6-8-13)17(22)21-16-10-9-15(11-19-16)20-14-3-1-2-4-14/h5-11,14,20H,1-4H2,(H,19,21,22)
InChIKeySDBVMWGNMRXKPY-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.45
Rot. Bonds4

About 4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide

4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide (PubChem CID 113024450) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is 4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide
PubChem CID113024450
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC Name4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide
SMILESO=C(Nc1ccc(NC2CCCC2)cn1)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3O/c18-13-7-5-12(6-8-13)17(22)21-16-10-9-15(11-19-16)20-14-3-1-2-4-14/h5-11,14,20H,1-4H2,(H,19,21,22)
InChIKeySDBVMWGNMRXKPY-UHFFFAOYSA-N
XLogP4.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluorobenzamide
CID 113024447
N-[5-(cyclohexylamino)-2-pyridinyl]-4-methylbenzamide
CID 113024697
4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
CID 113038059
methyl N-[5-(cyclopentylamino)-2-pyridinyl]carbamate
CID 113024495
N-(4-bromophenyl)-5-(cyclohexylamino)pyridine-3-carboxamide
CID 109226928
N-(3-bromophenyl)-6-(cyclopentylamino)pyridine-3-carboxamide
CID 109152213
N-[5-(cyclopropylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113023685
4-bromo-N-[5-(butylamino)-2-pyridinyl]benzamide
CID 113023973
1-[5-(cyclohexylamino)-2-pyridinyl]-3-propan-2-ylurea
CID 113024752
4-[[5-(cyclohexylamino)-2-pyridinyl]amino]-4-oxobutanoic acid
CID 39187428
N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166358
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide?
The IUPAC name of 4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide (CID 113024450) is 4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide is O=C(Nc1ccc(NC2CCCC2)cn1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide?
The InChIKey is SDBVMWGNMRXKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c18-13-7-5-12(6-8-13)17(22)21-16-10-9-15(11-19-16)20-14-3-1-2-4-14/h5-11,14,20H,1-4H2,(H,19,21,22).
What are the key properties of 4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide?
4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide has a molecular weight of 360.26 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[5-(cyclopentylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 113024450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).