N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide

C20H22N4O3 — CID 118662597

IUPACN-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cn(C)c(=O)c3cc(CN4CCCC4)oc23)ccn1
InChIInChI=1S/C20H22N4O3/c1-13(25)22-18-9-14(5-6-21-18)17-12-23(2)20(26)16-10-15(27-19(16)17)11-24-7-3-4-8-24/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,21,22,25)
InChIKeyFHHSGVDZBHZKPZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.75
Rot. Bonds4

About N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide

N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide (PubChem CID 118662597) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
PubChem CID118662597
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cn(C)c(=O)c3cc(CN4CCCC4)oc23)ccn1
InChIInChI=1S/C20H22N4O3/c1-13(25)22-18-9-14(5-6-21-18)17-12-23(2)20(26)16-10-15(27-19(16)17)11-24-7-3-4-8-24/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,21,22,25)
InChIKeyFHHSGVDZBHZKPZ-UHFFFAOYSA-N
XLogP2.75
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-methyl-4-oxo-2-[(3-oxo-1,4-diazepan-1-yl)methyl]furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 118662552
N-[4-[2-[(4-ethyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 86299478
N-[4-[2-[(4-formyl-2-methylpiperazin-1-yl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 144702185
N-[4-[5-methyl-2-[[(2R)-2-methyl-4-(4-methyl-1,3-dioxetan-2-yl)piperazin-1-yl]methyl]-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 144702126
N-[3-[2-(1,4-diazepan-1-ylmethyl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]phenyl]pyridine-2-carboxamide
CID 86299402
N-[4-[5-methyl-2-[1-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 86299734
N-[4-[5-methyl-2-[(1R)-1-(4-methylsulfonylpiperazin-1-yl)ethyl]-4-oxofuro[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 118662591
N-[4-[2-(hydroxymethyl)-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 122603196
N-[4-[2-[[(3R)-3-hydroxypiperidin-1-yl]methyl]-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 122603120
ethane;N-[4-[2-[(4-ethylsulfinylpiperazin-1-yl)methyl]-5-methyl-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 144628540
tert-butyl 2-[4-[5-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-oxofuro[3,2-c]pyridin-7-yl]-3-pyridinyl]acetate
CID 159723628
N-[4-[5-methyl-2-(6-methylsulfonyl-2-propyloctyl)-4-oxothieno[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide
CID 123945284

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide (CID 118662597) is N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cn(C)c(=O)c3cc(CN4CCCC4)oc23)ccn1.
What is the InChIKey of N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
The InChIKey is FHHSGVDZBHZKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(25)22-18-9-14(5-6-21-18)17-12-23(2)20(26)16-10-15(27-19(16)17)11-24-7-3-4-8-24/h5-6,9-10,12H,3-4,7-8,11H2,1-2H3,(H,21,22,25).
What are the key properties of N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide?
N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)furo[3,2-c]pyridin-7-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118662597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).