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

C16H19FN6O2 — CID 67509492

IUPAC6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cncc(F)c1
InChIInChI=1S/C16H19FN6O2/c17-9-5-10(7-20-6-9)21-16-11(15(19)24)1-2-14(23-16)22-13-3-4-25-8-12(13)18/h1-2,5-7,12-13H,3-4,8,18H2,(H2,19,24)(H2,21,22,23)/t12-,13+/m0/s1
InChIKeyYWQQVJLMKBYSIL-QWHCGFSZSA-N
MW346.37 g/mol
LogP0.99
Rot. Bonds5

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

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 67509492) 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]-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID67509492
Molecular FormulaC16H19FN6O2
Molecular Weight346.37 g/mol
Exact Mass346.16
IUPAC Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cncc(F)c1
InChIInChI=1S/C16H19FN6O2/c17-9-5-10(7-20-6-9)21-16-11(15(19)24)1-2-14(23-16)22-13-3-4-25-8-12(13)18/h1-2,5-7,12-13H,3-4,8,18H2,(H2,19,24)(H2,21,22,23)/t12-,13+/m0/s1
InChIKeyYWQQVJLMKBYSIL-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

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide (CID 67509492) is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide is NC(=O)c1ccc(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cncc(F)c1.
What is the InChIKey of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is YWQQVJLMKBYSIL-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H19FN6O2/c17-9-5-10(7-20-6-9)21-16-11(15(19)24)1-2-14(23-16)22-13-3-4-25-8-12(13)18/h1-2,5-7,12-13H,3-4,8,18H2,(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]-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-2-[(5-fluoro-3-pyridinyl)amino]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]-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 67509492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).