[4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone

C24H30N6O2 — CID 53182198

IUPAC[4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
SMILESCC(C)c1noc(-c2cccnc2N2CCCN(C(=O)c3ccc(N(C)C)cc3)CC2)n1
InChIInChI=1S/C24H30N6O2/c1-17(2)21-26-23(32-27-21)20-7-5-12-25-22(20)29-13-6-14-30(16-15-29)24(31)18-8-10-19(11-9-18)28(3)4/h5,7-12,17H,6,13-16H2,1-4H3
InChIKeyBBFREODSGPIJQH-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.67
Rot. Bonds5

About [4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone

[4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone (PubChem CID 53182198) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
PubChem CID53182198
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name[4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
SMILESCC(C)c1noc(-c2cccnc2N2CCCN(C(=O)c3ccc(N(C)C)cc3)CC2)n1
InChIInChI=1S/C24H30N6O2/c1-17(2)21-26-23(32-27-21)20-7-5-12-25-22(20)29-13-6-14-30(16-15-29)24(31)18-8-10-19(11-9-18)28(3)4/h5,7-12,17H,6,13-16H2,1-4H3
InChIKeyBBFREODSGPIJQH-UHFFFAOYSA-N
XLogP3.67
TPSA78.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

(3-chlorophenyl)-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 53182187
(4-methoxyphenyl)-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 53182130
[4-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]-(4-fluorophenyl)methanone
CID 53182151
(3,5-dimethylphenyl)-[4-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 53182170
5-[2-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 53182065
2-[4-[4-(diethylamino)benzoyl]-1,4-diazepan-1-yl]pyridine-3-carbonitrile
CID 86850953
[4-(dimethylamino)phenyl]-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 163340026
1H-indol-5-yl-[4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 53134142
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 46680040
3-(4-methylphenyl)-5-(2-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 46265181
tert-butyl 4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 95929891
[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 75374153

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone (CID 53182198) is [4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone is CC(C)c1noc(-c2cccnc2N2CCCN(C(=O)c3ccc(N(C)C)cc3)CC2)n1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is BBFREODSGPIJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-17(2)21-26-23(32-27-21)20-7-5-12-25-22(20)29-13-6-14-30(16-15-29)24(31)18-8-10-19(11-9-18)28(3)4/h5,7-12,17H,6,13-16H2,1-4H3.
What are the key properties of [4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone?
[4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 434.54 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[4-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 53182198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).