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

C16H18F2N6O2 — CID 57335962

IUPAC6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cncc(F)c1
InChIInChI=1S/C16H18F2N6O2/c17-8-3-9(6-21-5-8)22-15-10(14(20)25)4-11(18)16(24-15)23-13-1-2-26-7-12(13)19/h3-6,12-13H,1-2,7,19H2,(H2,20,25)(H2,22,23,24)/t12-,13+/m0/s1
InChIKeyREYRUFCBIPWRAL-QWHCGFSZSA-N
MW364.36 g/mol
LogP1.13
Rot. Bonds5

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

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 57335962) has the molecular formula C16H18F2N6O2 and a molecular weight of 364.36 g/mol. Its IUPAC name is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID57335962
Molecular FormulaC16H18F2N6O2
Molecular Weight364.36 g/mol
Exact Mass364.15
IUPAC Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cncc(F)c1
InChIInChI=1S/C16H18F2N6O2/c17-8-3-9(6-21-5-8)22-15-10(14(20)25)4-11(18)16(24-15)23-13-1-2-26-7-12(13)19/h3-6,12-13H,1-2,7,19H2,(H2,20,25)(H2,22,23,24)/t12-,13+/m0/s1
InChIKeyREYRUFCBIPWRAL-QWHCGFSZSA-N
XLogP1.13
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.13
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]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide (CID 57335962) is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide is NC(=O)c1cc(F)c(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cncc(F)c1.
What is the InChIKey of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is REYRUFCBIPWRAL-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H18F2N6O2/c17-8-3-9(6-21-5-8)22-15-10(14(20)25)4-11(18)16(24-15)23-13-1-2-26-7-12(13)19/h3-6,12-13H,1-2,7,19H2,(H2,20,25)(H2,22,23,24)/t12-,13+/m0/s1.
What are the key properties of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide?
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 1.13, 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-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 57335962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).