[5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone

C16H16BrN3O2 — CID 109184671

IUPAC[5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(Br)cc2)cn1)N1CCOCC1
InChIInChI=1S/C16H16BrN3O2/c17-12-1-3-13(4-2-12)19-14-5-6-15(18-11-14)16(21)20-7-9-22-10-8-20/h1-6,11,19H,7-10H2
InChIKeyNOIMASAZJYTFCD-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.06
Rot. Bonds3

About [5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone

[5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 109184671) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is [5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID109184671
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name[5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(Br)cc2)cn1)N1CCOCC1
InChIInChI=1S/C16H16BrN3O2/c17-12-1-3-13(4-2-12)19-14-5-6-15(18-11-14)16(21)20-7-9-22-10-8-20/h1-6,11,19H,7-10H2
InChIKeyNOIMASAZJYTFCD-UHFFFAOYSA-N
XLogP3.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114727
[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184666
[5-(3-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184706
[5-(2-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184658
morpholin-4-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109184685
[5-(methylamino)-2-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 113436167
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
[5-(benzylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184568
methyl 2-[[6-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
CID 109184691
[5-(4-fluoroanilino)-2-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109193490
N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109181915

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone (CID 109184671) is [5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccc(Nc2ccc(Br)cc2)cn1)N1CCOCC1.
What is the InChIKey of [5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is NOIMASAZJYTFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c17-12-1-3-13(4-2-12)19-14-5-6-15(18-11-14)16(21)20-7-9-22-10-8-20/h1-6,11,19H,7-10H2.
What are the key properties of [5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
[5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 362.23 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromoanilino)-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109184671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).