morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone

C19H23N3O5 — CID 109206544

IUPACmorpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
SMILESCOc1cc(Nc2ccnc(C(=O)N3CCOCC3)c2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-24-16-11-14(12-17(25-2)18(16)26-3)21-13-4-5-20-15(10-13)19(23)22-6-8-27-9-7-22/h4-5,10-12H,6-9H2,1-3H3,(H,20,21)
InChIKeyDUJXQFOAEIFRKU-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.32
Rot. Bonds6

About morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone

morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone (PubChem CID 109206544) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
PubChem CID109206544
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Namemorpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
SMILESCOc1cc(Nc2ccnc(C(=O)N3CCOCC3)c2)cc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-24-16-11-14(12-17(25-2)18(16)26-3)21-13-4-5-20-15(10-13)19(23)22-6-8-27-9-7-22/h4-5,10-12H,6-9H2,1-3H3,(H,20,21)
InChIKeyDUJXQFOAEIFRKU-UHFFFAOYSA-N
XLogP2.32
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3,4,5-trimethoxyanilino)pyridine-2-carboxylic acid
CID 146673906
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206556
1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
CID 109206514
[4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206522
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300640
[4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206428
[4-(2-methoxyethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109205842
[4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206553
N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109201155
N-(4-methylphenyl)-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109219259
3,4-dihydro-1H-isoquinolin-2-yl-[4-(3,4-dimethoxyanilino)-2-pyridinyl]methanone
CID 109213815
methyl 4-[[2-(azepane-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109218594

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone?
The IUPAC name of morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone (CID 109206544) is morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone is COc1cc(Nc2ccnc(C(=O)N3CCOCC3)c2)cc(OC)c1OC.
What is the InChIKey of morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone?
The InChIKey is DUJXQFOAEIFRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-24-16-11-14(12-17(25-2)18(16)26-3)21-13-4-5-20-15(10-13)19(23)22-6-8-27-9-7-22/h4-5,10-12H,6-9H2,1-3H3,(H,20,21).
What are the key properties of morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone?
morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone has a molecular weight of 373.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone is sourced from PubChem (CID 109206544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).