3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide

C18H23N5O4 — CID 143374812

IUPAC3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
SMILESC[C@H]1COCCN1[C@@H]1CCN(C(=O)Nc2c(C(N)=O)oc3ncccc23)C1
InChIInChI=1S/C18H23N5O4/c1-11-10-26-8-7-23(11)12-4-6-22(9-12)18(25)21-14-13-3-2-5-20-17(13)27-15(14)16(19)24/h2-3,5,11-12H,4,6-10H2,1H3,(H2,19,24)(H,21,25)/t11-,12+/m0/s1
InChIKeyRUNRDQRBGAZOPI-NWDGAFQWSA-N
MW373.41 g/mol
LogP1.25
Rot. Bonds3

About 3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide

3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide (PubChem CID 143374812) has the molecular formula C18H23N5O4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
PubChem CID143374812
Molecular FormulaC18H23N5O4
Molecular Weight373.41 g/mol
Exact Mass373.18
IUPAC Name3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
SMILESC[C@H]1COCCN1[C@@H]1CCN(C(=O)Nc2c(C(N)=O)oc3ncccc23)C1
InChIInChI=1S/C18H23N5O4/c1-11-10-26-8-7-23(11)12-4-6-22(9-12)18(25)21-14-13-3-2-5-20-17(13)27-15(14)16(19)24/h2-3,5,11-12H,4,6-10H2,1H3,(H2,19,24)(H,21,25)/t11-,12+/m0/s1
InChIKeyRUNRDQRBGAZOPI-NWDGAFQWSA-N
XLogP1.25
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide (CID 143374812) is 3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide is C[C@H]1COCCN1[C@@H]1CCN(C(=O)Nc2c(C(N)=O)oc3ncccc23)C1.
What is the InChIKey of 3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is RUNRDQRBGAZOPI-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H23N5O4/c1-11-10-26-8-7-23(11)12-4-6-22(9-12)18(25)21-14-13-3-2-5-20-17(13)27-15(14)16(19)24/h2-3,5,11-12H,4,6-10H2,1H3,(H2,19,24)(H,21,25)/t11-,12+/m0/s1.
What are the key properties of 3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-[(3S)-3-methylmorpholin-4-yl]pyrrolidine-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 143374812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).