4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine

C16H15N3O — CID 147824254

IUPAC4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine
SMILESc1ccc2c(c1)CN=C2c1ccnc(NC2COC2)c1
InChIInChI=1S/C16H15N3O/c1-2-4-14-12(3-1)8-18-16(14)11-5-6-17-15(7-11)19-13-9-20-10-13/h1-7,13H,8-10H2,(H,17,19)
InChIKeyHPVCDHBKIFIRCA-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.24
Rot. Bonds3

About 4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine

4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine (PubChem CID 147824254) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine
PubChem CID147824254
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine
SMILESc1ccc2c(c1)CN=C2c1ccnc(NC2COC2)c1
InChIInChI=1S/C16H15N3O/c1-2-4-14-12(3-1)8-18-16(14)11-5-6-17-15(7-11)19-13-9-20-10-13/h1-7,13H,8-10H2,(H,17,19)
InChIKeyHPVCDHBKIFIRCA-UHFFFAOYSA-N
XLogP2.24
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-fluoro-4-pyridinyl)-1H-isoindole
CID 157451126
4-(3H-isoindol-1-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 157123664
1-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperidin-4-ol
CID 158273269
4-[3-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]piperazin-1-yl]propyl]morpholine
CID 157491720
[(2S)-1-[4-(3H-isoindol-1-yl)-2-pyridinyl]pyrrolidin-2-yl]methanol
CID 146761795
1-[4-[4-(3H-isoindol-1-yl)-2-pyridinyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 159248411
4-[4-(5-phenyl-3H-isoindol-1-yl)-2-pyridinyl]morpholine
CID 157153991
2-chloro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 140802487
2-N-(oxolan-3-yl)pyridine-2,4-diamine
CID 80717438
4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine
CID 115025286
4-bromo-N-(oxan-3-yl)pyridin-2-amine
CID 130608088
2-(2-methyl-4-pyridinyl)-N-(oxetan-3-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 169097942

Frequently Asked Questions

What is the IUPAC name of 4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine?
The IUPAC name of 4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine (CID 147824254) is 4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine?
The canonical SMILES for 4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine is c1ccc2c(c1)CN=C2c1ccnc(NC2COC2)c1.
What is the InChIKey of 4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine?
The InChIKey is HPVCDHBKIFIRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-2-4-14-12(3-1)8-18-16(14)11-5-6-17-15(7-11)19-13-9-20-10-13/h1-7,13H,8-10H2,(H,17,19).
What are the key properties of 4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine?
4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-isoindol-1-yl)-N-(oxetan-3-yl)pyridin-2-amine is sourced from PubChem (CID 147824254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).