[2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone

C21H28N4O2 — CID 109167377

IUPAC[2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)N3CCOCC3)ccn2)c(C)c1
InChIInChI=1S/C21H28N4O2/c1-4-24(5-2)18-6-7-19(16(3)14-18)23-20-15-17(8-9-22-20)21(26)25-10-12-27-13-11-25/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,22,23)
InChIKeyXECJFPVHPOEJPZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.45
Rot. Bonds6

About [2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone

[2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 109167377) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone
PubChem CID109167377
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)N3CCOCC3)ccn2)c(C)c1
InChIInChI=1S/C21H28N4O2/c1-4-24(5-2)18-6-7-19(16(3)14-18)23-20-15-17(8-9-22-20)21(26)25-10-12-27-13-11-25/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,22,23)
InChIKeyXECJFPVHPOEJPZ-UHFFFAOYSA-N
XLogP3.45
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.45
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

[2-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300688
N-[4-(diethylamino)-2-methylphenyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045551
4-[2-[4-(diethylamino)-2-methylanilino]pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109302967
N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide
CID 109176212
1-[4-[[6-[4-(diethylamino)-2-methylanilino]pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866700
4-[2-(2-morpholin-4-ylanilino)pyridine-4-carbonyl]piperazine-1-carbaldehyde
CID 109168896
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
azepan-1-yl-[2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidin-4-yl]methanone
CID 109334514
4-[4-[4-(diethylamino)-2-methylanilino]pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112888796
(2-hydrazinyl-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 62969077
ethyl 4-[2-(2,3-dimethylanilino)pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109174269
[2-[[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]amino]-4-pyridinyl]-morpholin-4-ylmethanone
CID 87812811

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone (CID 109167377) is [2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone is CCN(CC)c1ccc(Nc2cc(C(=O)N3CCOCC3)ccn2)c(C)c1.
What is the InChIKey of [2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is XECJFPVHPOEJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-24(5-2)18-6-7-19(16(3)14-18)23-20-15-17(8-9-22-20)21(26)25-10-12-27-13-11-25/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,22,23).
What are the key properties of [2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone?
[2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 368.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylamino)-2-methylanilino]-4-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109167377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).