N-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine

C15H15IN2O2 — CID 67095474

IUPACN-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine
SMILESIc1ccc(O[C@H]2CCOC2)c(Nc2ccncc2)c1
InChIInChI=1S/C15H15IN2O2/c16-11-1-2-15(20-13-5-8-19-10-13)14(9-11)18-12-3-6-17-7-4-12/h1-4,6-7,9,13H,5,8,10H2,(H,17,18)/t13-/m0/s1
InChIKeyVGYWHRYTKTUOTR-ZDUSSCGKSA-N
MW382.20 g/mol
LogP3.60
Rot. Bonds4

About N-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine

N-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine (PubChem CID 67095474) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is N-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine
PubChem CID67095474
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC NameN-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine
SMILESIc1ccc(O[C@H]2CCOC2)c(Nc2ccncc2)c1
InChIInChI=1S/C15H15IN2O2/c16-11-1-2-15(20-13-5-8-19-10-13)14(9-11)18-12-3-6-17-7-4-12/h1-4,6-7,9,13H,5,8,10H2,(H,17,18)/t13-/m0/s1
InChIKeyVGYWHRYTKTUOTR-ZDUSSCGKSA-N
XLogP3.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 127404
CID 127404
CID 8027171
CID 8027171
CID 677339
CID 677339
CID 748753
CID 748753
CID 814784
CID 814784
CID 12673493
CID 12673493
CID 603950
CID 603950
CID 127403
CID 127403
CID 774453
CID 774453
CID 6465318
CID 6465318
CID 6604790
CID 6604790
CID 3159631
CID 3159631

Frequently Asked Questions

What is the IUPAC name of N-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine?
The IUPAC name of N-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine (CID 67095474) is N-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine.
What is the SMILES notation for N-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine?
The canonical SMILES for N-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine is Ic1ccc(O[C@H]2CCOC2)c(Nc2ccncc2)c1.
What is the InChIKey of N-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine?
The InChIKey is VGYWHRYTKTUOTR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15IN2O2/c16-11-1-2-15(20-13-5-8-19-10-13)14(9-11)18-12-3-6-17-7-4-12/h1-4,6-7,9,13H,5,8,10H2,(H,17,18)/t13-/m0/s1.
What are the key properties of N-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine?
N-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine has a molecular weight of 382.20 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-iodo-2-[(3S)-oxolan-3-yl]oxyphenyl]pyridin-4-amine is sourced from PubChem (CID 67095474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).