[5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone

C17H18BrN3O — CID 109181936

IUPAC[5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(Nc2ccc(C(=O)N3CCCC3)nc2)ccc1Br
InChIInChI=1S/C17H18BrN3O/c1-12-10-13(4-6-15(12)18)20-14-5-7-16(19-11-14)17(22)21-8-2-3-9-21/h4-7,10-11,20H,2-3,8-9H2,1H3
InChIKeyQZBRDCRPMUFKMZ-UHFFFAOYSA-N
MW360.26 g/mol
LogP4.13
Rot. Bonds3

About [5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone

[5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109181936) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is [5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109181936
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC Name[5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(Nc2ccc(C(=O)N3CCCC3)nc2)ccc1Br
InChIInChI=1S/C17H18BrN3O/c1-12-10-13(4-6-15(12)18)20-14-5-7-16(19-11-14)17(22)21-8-2-3-9-21/h4-7,10-11,20H,2-3,8-9H2,1H3
InChIKeyQZBRDCRPMUFKMZ-UHFFFAOYSA-N
XLogP4.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181948
[2-(4-bromo-3-methylanilino)-6-methylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109321881
N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109181915
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone
CID 109196768
N-[4-[[6-(piperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109182665
[2-(4-bromo-3-methylanilino)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166192
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186977
ethyl 4-[5-(3,4-dimethylanilino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109194138
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
5-(4-bromo-3-methylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109194687

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109181936) is [5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1cc(Nc2ccc(C(=O)N3CCCC3)nc2)ccc1Br.
What is the InChIKey of [5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is QZBRDCRPMUFKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c1-12-10-13(4-6-15(12)18)20-14-5-7-16(19-11-14)17(22)21-8-2-3-9-21/h4-7,10-11,20H,2-3,8-9H2,1H3.
What are the key properties of [5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 360.26 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109181936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).