3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide

C20H27N5O4 — CID 15986092

IUPAC3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(NC(=O)N3CC[C@@H](N4CCOC(C)(C)C4)C3)c(C(N)=O)oc2n1
InChIInChI=1S/C20H27N5O4/c1-12-4-5-14-15(16(17(21)26)29-18(14)22-12)23-19(27)24-7-6-13(10-24)25-8-9-28-20(2,3)11-25/h4-5,13H,6-11H2,1-3H3,(H2,21,26)(H,23,27)/t13-/m1/s1
InChIKeyGHYVIQGHIVOLLP-CYBMUJFWSA-N
MW401.47 g/mol
LogP1.95
Rot. Bonds3

About 3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide

3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide (PubChem CID 15986092) has the molecular formula C20H27N5O4 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide
PubChem CID15986092
Molecular FormulaC20H27N5O4
Molecular Weight401.47 g/mol
Exact Mass401.21
IUPAC Name3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(NC(=O)N3CC[C@@H](N4CCOC(C)(C)C4)C3)c(C(N)=O)oc2n1
InChIInChI=1S/C20H27N5O4/c1-12-4-5-14-15(16(17(21)26)29-18(14)22-12)23-19(27)24-7-6-13(10-24)25-8-9-28-20(2,3)11-25/h4-5,13H,6-11H2,1-3H3,(H2,21,26)(H,23,27)/t13-/m1/s1
InChIKeyGHYVIQGHIVOLLP-CYBMUJFWSA-N
XLogP1.95
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide (CID 15986092) is 3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(NC(=O)N3CC[C@@H](N4CCOC(C)(C)C4)C3)c(C(N)=O)oc2n1.
What is the InChIKey of 3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide?
The InChIKey is GHYVIQGHIVOLLP-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H27N5O4/c1-12-4-5-14-15(16(17(21)26)29-18(14)22-12)23-19(27)24-7-6-13(10-24)25-8-9-28-20(2,3)11-25/h4-5,13H,6-11H2,1-3H3,(H2,21,26)(H,23,27)/t13-/m1/s1.
What are the key properties of 3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide?
3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-(2,2-dimethylmorpholin-4-yl)pyrrolidine-1-carbonyl]amino]-6-methylfuro[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 15986092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).