[5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone

C18H21BrN4O — CID 109230538

IUPAC[5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cncc(Nc3cccc(Br)c3)c2)CC1
InChIInChI=1S/C18H21BrN4O/c1-2-22-6-8-23(9-7-22)18(24)14-10-17(13-20-12-14)21-16-5-3-4-15(19)11-16/h3-5,10-13,21H,2,6-9H2,1H3
InChIKeyRHYMPWGSERMHGP-UHFFFAOYSA-N
MW389.30 g/mol
LogP3.37
Rot. Bonds4

About [5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone

[5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 109230538) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is [5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID109230538
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC Name[5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cncc(Nc3cccc(Br)c3)c2)CC1
InChIInChI=1S/C18H21BrN4O/c1-2-22-6-8-23(9-7-22)18(24)14-10-17(13-20-12-14)21-16-5-3-4-15(19)11-16/h3-5,10-13,21H,2,6-9H2,1H3
InChIKeyRHYMPWGSERMHGP-UHFFFAOYSA-N
XLogP3.37
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(3-bromoanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225656
[5-[4-(diethylamino)anilino]-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109230532
ethyl 4-[5-(3-acetylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109238322
(4-ethylpiperazin-1-yl)-[5-[(3-methylphenyl)methylamino]-3-pyridinyl]methanone
CID 109230416
(4-ethylpiperazin-1-yl)-[5-(pyridin-2-ylmethylamino)-3-pyridinyl]methanone
CID 109230428
(4-ethylpiperazin-1-yl)-[5-[(2-fluorophenyl)methylamino]-3-pyridinyl]methanone
CID 109230420
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(3-methylanilino)-3-pyridinyl]methanone
CID 109237606
4-[5-(4-bromoanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230813
5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109104539
pyrrolidin-1-yl-[5-[3-(trifluoromethyl)anilino]-3-pyridinyl]methanone
CID 109225633
(4-ethylpiperazin-1-yl)-[5-(3-fluorophenyl)-3-pyridinyl]methanone
CID 46032886
[5-(3,4-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230218

Frequently Asked Questions

What is the IUPAC name of [5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone (CID 109230538) is [5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2cncc(Nc3cccc(Br)c3)c2)CC1.
What is the InChIKey of [5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is RHYMPWGSERMHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c1-2-22-6-8-23(9-7-22)18(24)14-10-17(13-20-12-14)21-16-5-3-4-15(19)11-16/h3-5,10-13,21H,2,6-9H2,1H3.
What are the key properties of [5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone?
[5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 389.30 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-bromoanilino)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 109230538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).