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

C20H21FN6O2 — CID 67509956

IUPAC6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cnc2ccccc2c1
InChIInChI=1S/C20H21FN6O2/c21-14-8-13(18(23)28)19(27-20(14)26-17-5-6-29-10-15(17)22)25-12-7-11-3-1-2-4-16(11)24-9-12/h1-4,7-9,15,17H,5-6,10,22H2,(H2,23,28)(H2,25,26,27)/t15-,17+/m0/s1
InChIKeyXLERAJZUKGGYNA-DOTOQJQBSA-N
MW396.43 g/mol
LogP2.14
Rot. Bonds5

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

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide (PubChem CID 67509956) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
PubChem CID67509956
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cnc2ccccc2c1
InChIInChI=1S/C20H21FN6O2/c21-14-8-13(18(23)28)19(27-20(14)26-17-5-6-29-10-15(17)22)25-12-7-11-3-1-2-4-16(11)24-9-12/h1-4,7-9,15,17H,5-6,10,22H2,(H2,23,28)(H2,25,26,27)/t15-,17+/m0/s1
InChIKeyXLERAJZUKGGYNA-DOTOQJQBSA-N
XLogP2.14
TPSA128.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 52.14
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-(quinolin-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide (CID 67509956) is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide is NC(=O)c1cc(F)c(N[C@@H]2CCOC[C@@H]2N)nc1Nc1cnc2ccccc2c1.
What is the InChIKey of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
The InChIKey is XLERAJZUKGGYNA-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H21FN6O2/c21-14-8-13(18(23)28)19(27-20(14)26-17-5-6-29-10-15(17)22)25-12-7-11-3-1-2-4-16(11)24-9-12/h1-4,7-9,15,17H,5-6,10,22H2,(H2,23,28)(H2,25,26,27)/t15-,17+/m0/s1.
What are the key properties of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide?
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide has a molecular weight of 396.43 g/mol, XLogP of 2.14, 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-(quinolin-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67509956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).