[4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone

C18H22N4O2 — CID 109206522

IUPAC[4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCN(C)c1ccc(Nc2ccnc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H22N4O2/c1-21(2)16-5-3-14(4-6-16)20-15-7-8-19-17(13-15)18(23)22-9-11-24-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,19,20)
InChIKeyWBIUIXGSQKDQID-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.36
Rot. Bonds4

About [4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone

[4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 109206522) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID109206522
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCN(C)c1ccc(Nc2ccnc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C18H22N4O2/c1-21(2)16-5-3-14(4-6-16)20-15-7-8-19-17(13-15)18(23)22-9-11-24-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,19,20)
InChIKeyWBIUIXGSQKDQID-UHFFFAOYSA-N
XLogP2.36
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[2-(morpholine-4-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
CID 109206514
4-[4-[4-(dimethylamino)anilino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208824
morpholin-4-yl-[4-(3,4,5-trimethoxyanilino)-2-pyridinyl]methanone
CID 109206544
[4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206553
1-[4-[4-(4-fluoroanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209084
azepan-1-yl-[4-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]methanone
CID 109218598
[4-(2-methoxyethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109205842
1-[4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]amino]phenyl]ethanone
CID 109215644
methyl 4-[[2-(azepane-1-carbonyl)-4-pyridinyl]amino]benzoate
CID 109218594
azepan-1-yl-[4-(4-ethylanilino)-2-pyridinyl]methanone
CID 109218552
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide
CID 109218362

Frequently Asked Questions

What is the IUPAC name of [4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone (CID 109206522) is [4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone is CN(C)c1ccc(Nc2ccnc(C(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of [4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is WBIUIXGSQKDQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-21(2)16-5-3-14(4-6-16)20-15-7-8-19-17(13-15)18(23)22-9-11-24-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,19,20).
What are the key properties of [4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone?
[4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dimethylamino)anilino]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109206522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).