N-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine

C19H15IN6O — CID 58174149

IUPACN-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
SMILESIc1ccnc(Oc2cccc(CCNc3ncnc4nccnc34)c2)c1
InChIInChI=1S/C19H15IN6O/c20-14-5-7-21-16(11-14)27-15-3-1-2-13(10-15)4-6-23-18-17-19(26-12-25-18)24-9-8-22-17/h1-3,5,7-12H,4,6H2,(H,23,24,25,26)
InChIKeyGZNSQSLYOIJJPU-UHFFFAOYSA-N
MW470.27 g/mol
LogP3.87
Rot. Bonds6

About N-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine

N-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine (PubChem CID 58174149) has the molecular formula C19H15IN6O and a molecular weight of 470.27 g/mol. Its IUPAC name is N-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine.

Molecular Properties

Compound NameN-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
PubChem CID58174149
Molecular FormulaC19H15IN6O
Molecular Weight470.27 g/mol
Exact Mass470.04
IUPAC NameN-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
SMILESIc1ccnc(Oc2cccc(CCNc3ncnc4nccnc34)c2)c1
InChIInChI=1S/C19H15IN6O/c20-14-5-7-21-16(11-14)27-15-3-1-2-13(10-15)4-6-23-18-17-19(26-12-25-18)24-9-8-22-17/h1-3,5,7-12H,4,6H2,(H,23,24,25,26)
InChIKeyGZNSQSLYOIJJPU-UHFFFAOYSA-N
XLogP3.87
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.27
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-5-[3-[2-(pteridin-4-ylamino)ethyl]phenoxy]pyridine-4-carbonitrile
CID 58174231
N-[2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174220
N-[2-(4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174186
N-[2-(4-phenylphenyl)ethyl]pteridin-4-amine
CID 58174286
N-[2-(3-bromo-4-methoxyphenyl)ethyl]pteridin-4-amine
CID 58174262
N-[2-[4-[(3,5,6-trifluoro-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174056
N-[2-[3-propoxy-4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 58174065
2-methyl-4-[2-(pteridin-4-ylamino)ethyl]phenol
CID 58174107
N-[2-[4-[2-(4-phenylmethoxyphenyl)ethoxy]phenyl]ethyl]pteridin-4-amine;4-[2-(pteridin-4-ylamino)ethyl]phenol
CID 161366630
N-[2-[4-[[4-(1,1-difluoroethyl)-6-methoxy-2-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 51000642
N-[2-[4-[(3-methoxy-1,2,4-thiadiazol-5-yl)oxy]phenyl]ethyl]pteridin-4-amine
CID 58174143
N-[2-[4-[[2-chloro-4-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]ethyl]pteridin-4-amine
CID 58174236

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine?
The IUPAC name of N-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine (CID 58174149) is N-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine.
What is the SMILES notation for N-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine?
The canonical SMILES for N-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine is Ic1ccnc(Oc2cccc(CCNc3ncnc4nccnc34)c2)c1.
What is the InChIKey of N-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine?
The InChIKey is GZNSQSLYOIJJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15IN6O/c20-14-5-7-21-16(11-14)27-15-3-1-2-13(10-15)4-6-23-18-17-19(26-12-25-18)24-9-8-22-17/h1-3,5,7-12H,4,6H2,(H,23,24,25,26).
What are the key properties of N-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine?
N-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine has a molecular weight of 470.27 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-iodo-2-pyridinyl)oxy]phenyl]ethyl]pteridin-4-amine is sourced from PubChem (CID 58174149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).