N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide

C24H29F2N5O2 — CID 90155309

IUPACN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)(F)CNc1cc(Nc2ccc3ncccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C24H29F2N5O2/c1-23(2,26)14-30-19-11-21(31-16-7-8-18-15(10-16)6-5-9-27-18)28-12-17(19)22(32)29-13-20(25)24(3,4)33/h5-12,20,33H,13-14H2,1-4H3,(H,29,32)(H2,28,30,31)/t20-/m1/s1
InChIKeyHONNUZZIOPHMFF-HXUWFJFHSA-N
MW457.53 g/mol
LogP4.37
Rot. Bonds9

About N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide

N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide (PubChem CID 90155309) has the molecular formula C24H29F2N5O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide
PubChem CID90155309
Molecular FormulaC24H29F2N5O2
Molecular Weight457.53 g/mol
Exact Mass457.23
IUPAC NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)(F)CNc1cc(Nc2ccc3ncccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C24H29F2N5O2/c1-23(2,26)14-30-19-11-21(31-16-7-8-18-15(10-16)6-5-9-27-18)28-12-17(19)22(32)29-13-20(25)24(3,4)33/h5-12,20,33H,13-14H2,1-4H3,(H,29,32)(H2,28,30,31)/t20-/m1/s1
InChIKeyHONNUZZIOPHMFF-HXUWFJFHSA-N
XLogP4.37
TPSA99.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide (CID 90155309) is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide is CC(C)(F)CNc1cc(Nc2ccc3ncccc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O.
What is the InChIKey of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is HONNUZZIOPHMFF-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H29F2N5O2/c1-23(2,26)14-30-19-11-21(31-16-7-8-18-15(10-16)6-5-9-27-18)28-12-17(19)22(32)29-13-20(25)24(3,4)33/h5-12,20,33H,13-14H2,1-4H3,(H,29,32)(H2,28,30,31)/t20-/m1/s1.
What are the key properties of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide?
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 4.37, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(2-fluoro-2-methylpropyl)amino]-6-(quinolin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90155309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).