2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide

C23H20Cl2N4O3 — CID 59618325

IUPAC2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide
SMILESO=C(Nc1ccnc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H20Cl2N4O3/c24-18-2-1-3-19(25)21(18)22(30)28-17-8-9-26-20(14-17)27-16-6-4-15(5-7-16)23(31)29-10-12-32-13-11-29/h1-9,14H,10-13H2,(H2,26,27,28,30)
InChIKeyIGIONTUGLGGTSO-UHFFFAOYSA-N
MW471.34 g/mol
LogP4.86
Rot. Bonds5

About 2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide

2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide (PubChem CID 59618325) has the molecular formula C23H20Cl2N4O3 and a molecular weight of 471.34 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide
PubChem CID59618325
Molecular FormulaC23H20Cl2N4O3
Molecular Weight471.34 g/mol
Exact Mass470.09
IUPAC Name2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide
SMILESO=C(Nc1ccnc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1)c1c(Cl)cccc1Cl
InChIInChI=1S/C23H20Cl2N4O3/c24-18-2-1-3-19(25)21(18)22(30)28-17-8-9-26-20(14-17)27-16-6-4-15(5-7-16)23(31)29-10-12-32-13-11-29/h1-9,14H,10-13H2,(H2,26,27,28,30)
InChIKeyIGIONTUGLGGTSO-UHFFFAOYSA-N
XLogP4.86
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-[6-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]benzamide
CID 59618366
[4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206553
2,6-dichloro-N-[2-[(2-cyanoacetyl)amino]-4-pyridinyl]benzamide
CID 59618360
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912
2,6-dichloro-N-[2-(cyclobutanecarbonylamino)-4-pyridinyl]benzamide
CID 59618171
N-(3,5-dichlorophenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083095
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
azepan-1-yl-[2-(2,6-dichloroanilino)-4-pyridinyl]methanone
CID 109176053
2,6-dichloro-N-[2-[[2-(4-hydroxypiperidin-1-yl)pyrimidin-4-yl]amino]-4-pyridinyl]benzamide
CID 118720009
[4-[[4-(4-chlorophenyl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 58716722
N-(4-fluorophenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082885
5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17172946

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide (CID 59618325) is 2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide is O=C(Nc1ccnc(Nc2ccc(C(=O)N3CCOCC3)cc2)c1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide?
The InChIKey is IGIONTUGLGGTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O3/c24-18-2-1-3-19(25)21(18)22(30)28-17-8-9-26-20(14-17)27-16-6-4-15(5-7-16)23(31)29-10-12-32-13-11-29/h1-9,14H,10-13H2,(H2,26,27,28,30).
What are the key properties of 2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide?
2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide has a molecular weight of 471.34 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[4-(morpholine-4-carbonyl)anilino]-4-pyridinyl]benzamide is sourced from PubChem (CID 59618325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).