N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide

C20H26N4O3 — CID 156606543

IUPACN-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C(=O)CN(C)Cc2ccncc2)CC1c1ccc(C)o1
InChIInChI=1S/C20H26N4O3/c1-14-4-5-19(27-14)17-11-24(12-18(17)22-15(2)25)20(26)13-23(3)10-16-6-8-21-9-7-16/h4-9,17-18H,10-13H2,1-3H3,(H,22,25)
InChIKeyFGHDECUMIYIDSF-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.55
Rot. Bonds6

About N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide

N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide (PubChem CID 156606543) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide
PubChem CID156606543
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C(=O)CN(C)Cc2ccncc2)CC1c1ccc(C)o1
InChIInChI=1S/C20H26N4O3/c1-14-4-5-19(27-14)17-11-24(12-18(17)22-15(2)25)20(26)13-23(3)10-16-6-8-21-9-7-16/h4-9,17-18H,10-13H2,1-3H3,(H,22,25)
InChIKeyFGHDECUMIYIDSF-UHFFFAOYSA-N
XLogP1.55
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-4-propylpyrrolidin-3-yl]acetamide
CID 72938382
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(4-thiophen-2-ylbutanoyl)pyrrolidin-3-yl]acetamide
CID 70781931
N-[(3S,4R)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
CID 72844670
N-[4-(5-methylfuran-2-yl)-1-[4-(1,2,4-triazol-4-yl)benzoyl]pyrrolidin-3-yl]acetamide
CID 156604964
N-[(3S,4R)-4-(4-methoxyphenyl)-1-(2-pyridin-4-ylacetyl)pyrrolidin-3-yl]acetamide
CID 72839406
1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 86286733
N-[(3S,4R)-1-(3,6-dimethylpyrazin-2-yl)-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
CID 70766709
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 70754891
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
N-[2-(5-methylfuran-2-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 90651083
1-(1-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 138386665
N-[(3S,4R)-1-[(2,4-difluorophenyl)methyl]-4-(5-methylfuran-2-yl)pyrrolidin-3-yl]acetamide
CID 70773384

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide (CID 156606543) is N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CN(C(=O)CN(C)Cc2ccncc2)CC1c1ccc(C)o1.
What is the InChIKey of N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide?
The InChIKey is FGHDECUMIYIDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-4-5-19(27-14)17-11-24(12-18(17)22-15(2)25)20(26)13-23(3)10-16-6-8-21-9-7-16/h4-9,17-18H,10-13H2,1-3H3,(H,22,25).
What are the key properties of N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide?
N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methylfuran-2-yl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 156606543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).