[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone

C16H15Cl2N3O2 — CID 109153503

IUPAC[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2cc(Cl)cc(Cl)c2)nc1)N1CCOCC1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-7-13(18)9-14(8-12)20-15-2-1-11(10-19-15)16(22)21-3-5-23-6-4-21/h1-2,7-10H,3-6H2,(H,19,20)
InChIKeyIPAQCMVUOBQPOM-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.60
Rot. Bonds3

About [6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone

[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 109153503) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is [6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID109153503
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2cc(Cl)cc(Cl)c2)nc1)N1CCOCC1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-7-13(18)9-14(8-12)20-15-2-1-11(10-19-15)16(22)21-3-5-23-6-4-21/h1-2,7-10H,3-6H2,(H,19,20)
InChIKeyIPAQCMVUOBQPOM-UHFFFAOYSA-N
XLogP3.60
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153498
[6-(2,3-dihydro-1H-inden-5-ylamino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 4582787
[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 1441202
methyl 4-chloro-3-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]benzoate
CID 109153479
[1-(3,5-dichloroanilino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 56960201
morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485
(6-hydrazinyl-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62968732
1-[4-[6-(3,4-dichloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155276
[6-[[4-amino-5-(trifluoromethyl)-2-pyridinyl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 141220618
1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
CID 109160080
N-(3,5-dichlorophenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083095
piperidin-1-yl-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109152366

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone (CID 109153503) is [6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1ccc(Nc2cc(Cl)cc(Cl)c2)nc1)N1CCOCC1.
What is the InChIKey of [6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is IPAQCMVUOBQPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-12-7-13(18)9-14(8-12)20-15-2-1-11(10-19-15)16(22)21-3-5-23-6-4-21/h1-2,7-10H,3-6H2,(H,19,20).
What are the key properties of [6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone?
[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 352.22 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109153503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).