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

C19H21FN8O2 — CID 67508919

IUPAC6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1
InChIInChI=1S/C19H21FN8O2/c20-14-9-13(17(22)29)18(27-19(14)26-16-4-7-30-10-15(16)21)25-11-2-1-3-12(8-11)28-23-5-6-24-28/h1-3,5-6,8-9,15-16H,4,7,10,21H2,(H2,22,29)(H2,25,26,27)/t15-,16+/m0/s1
InChIKeyVLZKRBZUSIAURP-JKSUJKDBSA-N
MW412.43 g/mol
LogP1.17
Rot. Bonds6

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

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide (PubChem CID 67508919) has the molecular formula C19H21FN8O2 and a molecular weight of 412.43 g/mol. Its IUPAC name is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
PubChem CID67508919
Molecular FormulaC19H21FN8O2
Molecular Weight412.43 g/mol
Exact Mass412.18
IUPAC Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1
InChIInChI=1S/C19H21FN8O2/c20-14-9-13(17(22)29)18(27-19(14)26-16-4-7-30-10-15(16)21)25-11-2-1-3-12(8-11)28-23-5-6-24-28/h1-3,5-6,8-9,15-16H,4,7,10,21H2,(H2,22,29)(H2,25,26,27)/t15-,16+/m0/s1
InChIKeyVLZKRBZUSIAURP-JKSUJKDBSA-N
XLogP1.17
TPSA146.00 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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

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Related Compounds

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-8-[(2-methylindazol-4-yl)amino]-2H-2,7-naphthyridin-1-one
CID 90656285
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 67775149
US11344549, Example 140
CID 141747832
US11344549, Example 137
CID 154628210
7-[[(1R,2S)-2-aminocyclohexyl]amino]-5-[3-(triazol-2-yl)anilino]-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136056540
6-(ethylcarbamoylamino)-N-pyridin-3-yl-4-(triazol-2-yl)pyridine-3-carboxamide
CID 155542340
US9579320, Example 115
CID 44518998
US9579320, Example 92
CID 44519181
[(2S,3R)-3-[(5-fluoro-2-pyridinyl)amino]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86271312
7-Fluoro-4-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-6-[(1-prop-2-enoylpiperidin-3-yl)amino]-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 146367098
US9579320, Example 219
CID 59199893
US9579320, Example 298
CID 44519183

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide?
The IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide (CID 67508919) is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide is NC(=O)c1cc(F)c(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cccc(-n2nccn2)c1.
What is the InChIKey of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide?
The InChIKey is VLZKRBZUSIAURP-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H21FN8O2/c20-14-9-13(17(22)29)18(27-19(14)26-16-4-7-30-10-15(16)21)25-11-2-1-3-12(8-11)28-23-5-6-24-28/h1-3,5-6,8-9,15-16H,4,7,10,21H2,(H2,22,29)(H2,25,26,27)/t15-,16+/m0/s1.
What are the key properties of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide?
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide has a molecular weight of 412.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67508919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).