[5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone

C22H29N3O2 — CID 109228524

IUPAC[5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCC(C)c1cccc(C(C)C)c1Nc1cncc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H29N3O2/c1-15(2)19-6-5-7-20(16(3)4)21(19)24-18-12-17(13-23-14-18)22(26)25-8-10-27-11-9-25/h5-7,12-16,24H,8-11H2,1-4H3
InChIKeyRYDWPMHRDNPPNT-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.54
Rot. Bonds5

About [5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone

[5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 109228524) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is [5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID109228524
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name[5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone
SMILESCC(C)c1cccc(C(C)C)c1Nc1cncc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C22H29N3O2/c1-15(2)19-6-5-7-20(16(3)4)21(19)24-18-12-17(13-23-14-18)22(26)25-8-10-27-11-9-25/h5-7,12-16,24H,8-11H2,1-4H3
InChIKeyRYDWPMHRDNPPNT-UHFFFAOYSA-N
XLogP4.54
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103857
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone
CID 109237999
morpholin-4-yl-[5-(2,4,6-trimethylanilino)-3-pyridinyl]methanone
CID 109228463
(3-methylpiperidin-1-yl)-[5-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]methanone
CID 109240719
1-[4-[5-(2-propan-2-ylanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231087
methyl 4-[[5-(morpholine-4-carbonyl)-3-pyridinyl]amino]benzoate
CID 109228503
[5-(2,6-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230222
morpholin-4-yl-[5-(4-piperidin-1-ylanilino)-3-pyridinyl]methanone
CID 109228509
5-[2,6-di(propan-2-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222930
[5-(2,4-difluoroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 109228527
ethyl 4-[5-(2-propan-2-ylanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109238308
morpholin-4-yl-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]methanone
CID 109228393

Frequently Asked Questions

What is the IUPAC name of [5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone (CID 109228524) is [5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone is CC(C)c1cccc(C(C)C)c1Nc1cncc(C(=O)N2CCOCC2)c1.
What is the InChIKey of [5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is RYDWPMHRDNPPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15(2)19-6-5-7-20(16(3)4)21(19)24-18-12-17(13-23-14-18)22(26)25-8-10-27-11-9-25/h5-7,12-16,24H,8-11H2,1-4H3.
What are the key properties of [5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone?
[5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 367.49 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109228524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).