N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C17H24N4O3 — CID 29089294

IUPACN-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCC(C)Cc1noc(-c2ccc(N(C)C[C@H]3COCCO3)nc2)n1
InChIInChI=1S/C17H24N4O3/c1-12(2)8-15-19-17(24-20-15)13-4-5-16(18-9-13)21(3)10-14-11-22-6-7-23-14/h4-5,9,12,14H,6-8,10-11H2,1-3H3/t14-/m0/s1
InChIKeyLNAUAVJCNNMIJB-AWEZNQCLSA-N
MW332.40 g/mol
LogP2.18
Rot. Bonds6

About N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 29089294) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID29089294
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCC(C)Cc1noc(-c2ccc(N(C)C[C@H]3COCCO3)nc2)n1
InChIInChI=1S/C17H24N4O3/c1-12(2)8-15-19-17(24-20-15)13-4-5-16(18-9-13)21(3)10-14-11-22-6-7-23-14/h4-5,9,12,14H,6-8,10-11H2,1-3H3/t14-/m0/s1
InChIKeyLNAUAVJCNNMIJB-AWEZNQCLSA-N
XLogP2.18
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 45231546
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridin-2-amine
CID 26396539
N-methyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-N-phenylpyridin-2-amine;hydrochloride
CID 120866264
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]pyridin-2-amine
CID 28953742
N-(1,4-dioxan-2-ylmethyl)-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 155973970
N-methyl-N-(1,2-oxazol-3-ylmethyl)-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 28954828
methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate
CID 29088634
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine
CID 28823846
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine
CID 95121051
3-methyl-5-[6-[3-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 70751985
5-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 107081253
N-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 26328511

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 29089294) is N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is CC(C)Cc1noc(-c2ccc(N(C)C[C@H]3COCCO3)nc2)n1.
What is the InChIKey of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is LNAUAVJCNNMIJB-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12(2)8-15-19-17(24-20-15)13-4-5-16(18-9-13)21(3)10-14-11-22-6-7-23-14/h4-5,9,12,14H,6-8,10-11H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 332.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 29089294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).