N-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

C24H25N3O3 — CID 46948595

IUPACN-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)C1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1
InChIInChI=1S/C24H25N3O3/c1-27(2)15-14-25-23(28)22-16-20-18(12-13-26-24(20)30-22)19-10-6-7-11-21(19)29-17-8-4-3-5-9-17/h3-13,22H,14-16H2,1-2H3,(H,25,28)
InChIKeyRZLVJPCOHXAQIE-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.52
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (PubChem CID 46948595) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
PubChem CID46948595
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
SMILESCN(C)CCNC(=O)C1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1
InChIInChI=1S/C24H25N3O3/c1-27(2)15-14-25-23(28)22-16-20-18(12-13-26-24(20)30-22)19-10-6-7-11-21(19)29-17-8-4-3-5-9-17/h3-13,22H,14-16H2,1-2H3,(H,25,28)
InChIKeyRZLVJPCOHXAQIE-UHFFFAOYSA-N
XLogP3.52
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide (CID 46948595) is N-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is CN(C)CCNC(=O)C1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
The InChIKey is RZLVJPCOHXAQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-27(2)15-14-25-23(28)22-16-20-18(12-13-26-24(20)30-22)19-10-6-7-11-21(19)29-17-8-4-3-5-9-17/h3-13,22H,14-16H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(2-phenoxyphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46948595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).