2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide

C19H19F3N6O3 — CID 126512728

IUPAC2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide
SMILESNc1oc2cccnc2c1C(=O)Nc1cnccc1N1CC(C(F)(F)F)[C@@H](O)[C@H](N)C1
InChIInChI=1S/C19H19F3N6O3/c20-19(21,22)9-7-28(8-10(23)16(9)29)12-3-5-25-6-11(12)27-18(30)14-15-13(31-17(14)24)2-1-4-26-15/h1-6,9-10,16,29H,7-8,23-24H2,(H,27,30)/t9?,10-,16-/m1/s1
InChIKeyGDCVFKNMYWVWRS-MVHXDWSJSA-N
MW436.39 g/mol
LogP1.74
Rot. Bonds3

About 2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide

2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide (PubChem CID 126512728) has the molecular formula C19H19F3N6O3 and a molecular weight of 436.39 g/mol. Its IUPAC name is 2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide
PubChem CID126512728
Molecular FormulaC19H19F3N6O3
Molecular Weight436.39 g/mol
Exact Mass436.15
IUPAC Name2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide
SMILESNc1oc2cccnc2c1C(=O)Nc1cnccc1N1CC(C(F)(F)F)[C@@H](O)[C@H](N)C1
InChIInChI=1S/C19H19F3N6O3/c20-19(21,22)9-7-28(8-10(23)16(9)29)12-3-5-25-6-11(12)27-18(30)14-15-13(31-17(14)24)2-1-4-26-15/h1-6,9-10,16,29H,7-8,23-24H2,(H,27,30)/t9?,10-,16-/m1/s1
InChIKeyGDCVFKNMYWVWRS-MVHXDWSJSA-N
XLogP1.74
TPSA143.53 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide (CID 126512728) is 2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide is Nc1oc2cccnc2c1C(=O)Nc1cnccc1N1CC(C(F)(F)F)[C@@H](O)[C@H](N)C1.
What is the InChIKey of 2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide?
The InChIKey is GDCVFKNMYWVWRS-MVHXDWSJSA-N. The full InChI is InChI=1S/C19H19F3N6O3/c20-19(21,22)9-7-28(8-10(23)16(9)29)12-3-5-25-6-11(12)27-18(30)14-15-13(31-17(14)24)2-1-4-26-15/h1-6,9-10,16,29H,7-8,23-24H2,(H,27,30)/t9?,10-,16-/m1/s1.
What are the key properties of 2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide?
2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide has a molecular weight of 436.39 g/mol, XLogP of 1.74, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(3R,4R)-3-amino-4-hydroxy-5-(trifluoromethyl)piperidin-1-yl]-3-pyridinyl]furo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 126512728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).