2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile

C14H17N5O2 — CID 70705731

IUPAC2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile
SMILESCOc1nccc(N(C)Cc2noc(C(C)C)n2)c1C#N
InChIInChI=1S/C14H17N5O2/c1-9(2)13-17-12(18-21-13)8-19(3)11-5-6-16-14(20-4)10(11)7-15/h5-6,9H,8H2,1-4H3
InChIKeyVFXJLVYCGFSWQI-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.10
Rot. Bonds5

About 2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile

2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile (PubChem CID 70705731) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile
PubChem CID70705731
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile
SMILESCOc1nccc(N(C)Cc2noc(C(C)C)n2)c1C#N
InChIInChI=1S/C14H17N5O2/c1-9(2)13-17-12(18-21-13)8-19(3)11-5-6-16-14(20-4)10(11)7-15/h5-6,9H,8H2,1-4H3
InChIKeyVFXJLVYCGFSWQI-UHFFFAOYSA-N
XLogP2.10
TPSA88.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile with MolForge

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Related Compounds

3-methoxy-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazin-2-amine
CID 134703199
3-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrazine-2-carbonitrile
CID 131940037
4-[1-[ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethyl]benzonitrile
CID 56818769
2-(4-methoxyphenyl)-2-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]ethanol
CID 111122549
ethane;2-methoxy-4-methylpyridine-3-carbonitrile
CID 143628109
3-(3-cyano-2-methoxy-4-pyridinyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylbenzamide
CID 118783123
1-[2-(furan-2-yl)pyrimidin-5-yl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 56720124
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
N-[(2,5-dimethoxyphenyl)methyl]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]cyclopropanamine
CID 47070103
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119912855
6-methoxy-3-[[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56700693
N,6-dimethyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 50983555

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile (CID 70705731) is 2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile is COc1nccc(N(C)Cc2noc(C(C)C)n2)c1C#N.
What is the InChIKey of 2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile?
The InChIKey is VFXJLVYCGFSWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9(2)13-17-12(18-21-13)8-19(3)11-5-6-16-14(20-4)10(11)7-15/h5-6,9H,8H2,1-4H3.
What are the key properties of 2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile?
2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 70705731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).