2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine

C29H33N3O3 — CID 58608155

IUPAC2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine
SMILESCOC1CCC1CNc1ccnc2oc(-c3ccc(OCCN(C)C)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C29H33N3O3/c1-32(2)17-18-34-23-12-9-21(10-13-23)28-26(20-7-5-4-6-8-20)27-24(15-16-30-29(27)35-28)31-19-22-11-14-25(22)33-3/h4-10,12-13,15-16,22,25H,11,14,17-19H2,1-3H3,(H,30,31)
InChIKeyAFNVMJWVCVAGCO-UHFFFAOYSA-N
MW471.60 g/mol
LogP5.94
Rot. Bonds10

About 2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine

2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine (PubChem CID 58608155) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine
PubChem CID58608155
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC Name2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine
SMILESCOC1CCC1CNc1ccnc2oc(-c3ccc(OCCN(C)C)cc3)c(-c3ccccc3)c12
InChIInChI=1S/C29H33N3O3/c1-32(2)17-18-34-23-12-9-21(10-13-23)28-26(20-7-5-4-6-8-20)27-24(15-16-30-29(27)35-28)31-19-22-11-14-25(22)33-3/h4-10,12-13,15-16,22,25H,11,14,17-19H2,1-3H3,(H,30,31)
InChIKeyAFNVMJWVCVAGCO-UHFFFAOYSA-N
XLogP5.94
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine?
The IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine (CID 58608155) is 2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine is COC1CCC1CNc1ccnc2oc(-c3ccc(OCCN(C)C)cc3)c(-c3ccccc3)c12.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine?
The InChIKey is AFNVMJWVCVAGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-32(2)17-18-34-23-12-9-21(10-13-23)28-26(20-7-5-4-6-8-20)27-24(15-16-30-29(27)35-28)31-19-22-11-14-25(22)33-3/h4-10,12-13,15-16,22,25H,11,14,17-19H2,1-3H3,(H,30,31).
What are the key properties of 2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine?
2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine has a molecular weight of 471.60 g/mol, XLogP of 5.94, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine is sourced from PubChem (CID 58608155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).