[4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone

C16H15Cl2N3O2 — CID 109206553

IUPAC[4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Nc2c(Cl)cccc2Cl)ccn1)N1CCOCC1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-2-1-3-13(18)15(12)20-11-4-5-19-14(10-11)16(22)21-6-8-23-9-7-21/h1-5,10H,6-9H2,(H,19,20)
InChIKeyGFXFCKBNGVIRDT-UHFFFAOYSA-N
MW352.22 g/mol
LogP3.60
Rot. Bonds3

About [4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone

[4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 109206553) has the molecular formula C16H15Cl2N3O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is [4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID109206553
Molecular FormulaC16H15Cl2N3O2
Molecular Weight352.22 g/mol
Exact Mass351.05
IUPAC Name[4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(Nc2c(Cl)cccc2Cl)ccn1)N1CCOCC1
InChIInChI=1S/C16H15Cl2N3O2/c17-12-2-1-3-13(18)15(12)20-11-4-5-19-14(10-11)16(22)21-6-8-23-9-7-21/h1-5,10H,6-9H2,(H,19,20)
InChIKeyGFXFCKBNGVIRDT-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

[4-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203723
1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
CID 109206514
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206556
[4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206522
morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109206544
[4-(furan-2-ylmethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206395
[4-(3-fluoroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203769
1-[4-[4-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209127
[4-(3-chloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208151
N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082968
azepan-1-yl-[4-(3-fluoroanilino)-2-pyridinyl]methanone
CID 109218603
[4-(2-methoxyethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109205842

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone (CID 109206553) is [4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cc(Nc2c(Cl)cccc2Cl)ccn1)N1CCOCC1.
What is the InChIKey of [4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is GFXFCKBNGVIRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2/c17-12-2-1-3-13(18)15(12)20-11-4-5-19-14(10-11)16(22)21-6-8-23-9-7-21/h1-5,10H,6-9H2,(H,19,20).
What are the key properties of [4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
[4-(2,6-dichloroanilino)-2-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 [4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109206553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).