4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide

C14H19N3O3 — CID 167957813

IUPAC4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N[C@@H]2C[C@@H](O)C23CCOCC3)ccn1
InChIInChI=1S/C14H19N3O3/c15-13(19)10-7-9(1-4-16-10)17-11-8-12(18)14(11)2-5-20-6-3-14/h1,4,7,11-12,18H,2-3,5-6,8H2,(H2,15,19)(H,16,17)/t11-,12-/m1/s1
InChIKeyUUIDVXUOUZNFHS-VXGBXAGGSA-N
MW277.32 g/mol
LogP0.52
Rot. Bonds3

About 4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide

4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide (PubChem CID 167957813) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide
PubChem CID167957813
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N[C@@H]2C[C@@H](O)C23CCOCC3)ccn1
InChIInChI=1S/C14H19N3O3/c15-13(19)10-7-9(1-4-16-10)17-11-8-12(18)14(11)2-5-20-6-3-14/h1,4,7,11-12,18H,2-3,5-6,8H2,(H2,15,19)(H,16,17)/t11-,12-/m1/s1
InChIKeyUUIDVXUOUZNFHS-VXGBXAGGSA-N
XLogP0.52
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide (CID 167957813) is 4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide is NC(=O)c1cc(N[C@@H]2C[C@@H](O)C23CCOCC3)ccn1.
What is the InChIKey of 4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide?
The InChIKey is UUIDVXUOUZNFHS-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-13(19)10-7-9(1-4-16-10)17-11-8-12(18)14(11)2-5-20-6-3-14/h1,4,7,11-12,18H,2-3,5-6,8H2,(H2,15,19)(H,16,17)/t11-,12-/m1/s1.
What are the key properties of 4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide?
4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,3R)-3-hydroxy-7-oxaspiro[3.5]nonan-1-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167957813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).