2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine

C28H32N4O2 — CID 58608144

IUPAC2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine
SMILESCN(C)CCOc1ccc(-c2oc3nccc(NCC4CCNC4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C28H32N4O2/c1-32(2)16-17-33-23-10-8-22(9-11-23)27-25(21-6-4-3-5-7-21)26-24(13-15-30-28(26)34-27)31-19-20-12-14-29-18-20/h3-11,13,15,20,29H,12,14,16-19H2,1-2H3,(H,30,31)
InChIKeyUGJKDCNPLQSEIK-UHFFFAOYSA-N
MW456.59 g/mol
LogP5.12
Rot. Bonds9

About 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine

2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine (PubChem CID 58608144) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine
PubChem CID58608144
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine
SMILESCN(C)CCOc1ccc(-c2oc3nccc(NCC4CCNC4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C28H32N4O2/c1-32(2)16-17-33-23-10-8-22(9-11-23)27-25(21-6-4-3-5-7-21)26-24(13-15-30-28(26)34-27)31-19-20-12-14-29-18-20/h3-11,13,15,20,29H,12,14,16-19H2,1-2H3,(H,30,31)
InChIKeyUGJKDCNPLQSEIK-UHFFFAOYSA-N
XLogP5.12
TPSA62.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(1,3-dithiolan-2-ylmethyl)-3-phenylfuro[2,3-b]pyridin-4-amine
CID 11540458
2-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[(2-methoxycyclobutyl)methyl]-3-phenylfuro[2,3-b]pyridin-4-amine
CID 58608155
2-[4-(2-methoxyethoxy)phenyl]-3-phenyl-N-(2-piperazin-1-ylethyl)furo[2,3-b]pyridin-4-amine
CID 11605267
N-(cyclobutylmethyl)-6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 11575833
7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113438
4-phenyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 63006481
5-(4-phenoxyphenyl)-4-N-(pyrrolidin-3-ylmethyl)pyrimidine-4,6-diamine
CID 71092961
5-phenyl-N-(2-piperazin-1-ylethyl)-6-[4-(2-pyrrolidin-1-ylethoxy)phenyl]furo[2,3-d]pyrimidin-4-amine
CID 11684933
3-phenoxy-N-(pyrrolidin-3-ylmethyl)propanamide
CID 80564423
1-[3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]furo[2,3-b]pyridin-4-yl]propane-1,3-diamine
CID 68694122
4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline
CID 54863857
5-phenyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-1,3-thiazol-2-amine
CID 129247013

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine?
The IUPAC name of 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine (CID 58608144) is 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine is CN(C)CCOc1ccc(-c2oc3nccc(NCC4CCNC4)c3c2-c2ccccc2)cc1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine?
The InChIKey is UGJKDCNPLQSEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-32(2)16-17-33-23-10-8-22(9-11-23)27-25(21-6-4-3-5-7-21)26-24(13-15-30-28(26)34-27)31-19-20-12-14-29-18-20/h3-11,13,15,20,29H,12,14,16-19H2,1-2H3,(H,30,31).
What are the key properties of 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine?
2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine has a molecular weight of 456.59 g/mol, XLogP of 5.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethoxy]phenyl]-3-phenyl-N-(pyrrolidin-3-ylmethyl)furo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 58608144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).