N-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide

C22H22N4O2 — CID 169091485

IUPACN-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)Nc2ncc(-c3ccncc3)c3c2CCO3)c1
InChIInChI=1S/C22H22N4O2/c1-14(17-4-3-5-18(12-17)26-15(2)27)25-22-19-8-11-28-21(19)20(13-24-22)16-6-9-23-10-7-16/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyOFSWEELHSYJTLI-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.21
Rot. Bonds5

About N-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide (PubChem CID 169091485) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide
PubChem CID169091485
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)Nc2ncc(-c3ccncc3)c3c2CCO3)c1
InChIInChI=1S/C22H22N4O2/c1-14(17-4-3-5-18(12-17)26-15(2)27)25-22-19-8-11-28-21(19)20(13-24-22)16-6-9-23-10-7-16/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyOFSWEELHSYJTLI-UHFFFAOYSA-N
XLogP4.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide (CID 169091485) is N-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)Nc2ncc(-c3ccncc3)c3c2CCO3)c1.
What is the InChIKey of N-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is OFSWEELHSYJTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14(17-4-3-5-18(12-17)26-15(2)27)25-22-19-8-11-28-21(19)20(13-24-22)16-6-9-23-10-7-16/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 169091485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).