6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide

C16H19FN6O2 — CID 67509688

IUPAC6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cccnc1
InChIInChI=1S/C16H19FN6O2/c17-11-6-10(14(19)24)15(21-9-2-1-4-20-7-9)23-16(11)22-13-3-5-25-8-12(13)18/h1-2,4,6-7,12-13H,3,5,8,18H2,(H2,19,24)(H2,21,22,23)/t12-,13+/m0/s1
InChIKeyNLXSUZUGKKFSRB-QWHCGFSZSA-N
MW346.37 g/mol
LogP0.99
Rot. Bonds5

About 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide (PubChem CID 67509688) has the molecular formula C16H19FN6O2 and a molecular weight of 346.37 g/mol. Its IUPAC name is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide
PubChem CID67509688
Molecular FormulaC16H19FN6O2
Molecular Weight346.37 g/mol
Exact Mass346.16
IUPAC Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cccnc1
InChIInChI=1S/C16H19FN6O2/c17-11-6-10(14(19)24)15(21-9-2-1-4-20-7-9)23-16(11)22-13-3-5-25-8-12(13)18/h1-2,4,6-7,12-13H,3,5,8,18H2,(H2,19,24)(H2,21,22,23)/t12-,13+/m0/s1
InChIKeyNLXSUZUGKKFSRB-QWHCGFSZSA-N
XLogP0.99
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide (CID 67509688) is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide is NC(=O)c1cc(F)c(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cccnc1.
What is the InChIKey of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide?
The InChIKey is NLXSUZUGKKFSRB-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H19FN6O2/c17-11-6-10(14(19)24)15(21-9-2-1-4-20-7-9)23-16(11)22-13-3-5-25-8-12(13)18/h1-2,4,6-7,12-13H,3,5,8,18H2,(H2,19,24)(H2,21,22,23)/t12-,13+/m0/s1.
What are the key properties of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide?
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide has a molecular weight of 346.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(pyridin-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67509688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).