methyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate

C17H19N3O5 — CID 100754022

IUPACmethyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate
SMILESCOC(=O)Cc1occc1C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H19N3O5/c1-23-16(21)10-14-13(4-7-25-14)17(22)19-12-2-3-15(18-11-12)20-5-8-24-9-6-20/h2-4,7,11H,5-6,8-10H2,1H3,(H,19,22)
InChIKeyYAAXIMKUJDJRBM-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.48
Rot. Bonds5

About methyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate

methyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate (PubChem CID 100754022) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is methyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate
PubChem CID100754022
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Namemethyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate
SMILESCOC(=O)Cc1occc1C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H19N3O5/c1-23-16(21)10-14-13(4-7-25-14)17(22)19-12-2-3-15(18-11-12)20-5-8-24-9-6-20/h2-4,7,11H,5-6,8-10H2,1H3,(H,19,22)
InChIKeyYAAXIMKUJDJRBM-UHFFFAOYSA-N
XLogP1.48
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
CID 18158652
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34442516
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)quinoline-3-carboxamide
CID 86915804
2-(2,6-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 30770460
2-(4-fluorobenzoyl)-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 46553100
2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)furan-3-carboxamide
CID 56560494
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide
CID 30771595

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate?
The IUPAC name of methyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate (CID 100754022) is methyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate?
The canonical SMILES for methyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate is COC(=O)Cc1occc1C(=O)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of methyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate?
The InChIKey is YAAXIMKUJDJRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-23-16(21)10-14-13(4-7-25-14)17(22)19-12-2-3-15(18-11-12)20-5-8-24-9-6-20/h2-4,7,11H,5-6,8-10H2,1H3,(H,19,22).
What are the key properties of methyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate?
methyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate has a molecular weight of 345.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(6-morpholin-4-yl-3-pyridinyl)carbamoyl]furan-2-yl]acetate is sourced from PubChem (CID 100754022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).