4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide

C22H25FN6O2 — CID 90155093

IUPAC4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1
InChIInChI=1S/C22H25FN6O2/c1-22(2,31)18(23)12-26-21(30)15-11-25-20(9-17(15)27-14-4-5-14)29-19-6-3-13-10-24-8-7-16(13)28-19/h3,6-11,14,18,31H,4-5,12H2,1-2H3,(H,26,30)(H2,25,27,28,29)/t18-/m1/s1
InChIKeyPXAWSYHMHMFXBD-GOSISDBHSA-N
MW424.48 g/mol
LogP3.18
Rot. Bonds8

About 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide

4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide (PubChem CID 90155093) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
PubChem CID90155093
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1
InChIInChI=1S/C22H25FN6O2/c1-22(2,31)18(23)12-26-21(30)15-11-25-20(9-17(15)27-14-4-5-14)29-19-6-3-13-10-24-8-7-16(13)28-19/h3,6-11,14,18,31H,4-5,12H2,1-2H3,(H,26,30)(H2,25,27,28,29)/t18-/m1/s1
InChIKeyPXAWSYHMHMFXBD-GOSISDBHSA-N
XLogP3.18
TPSA112.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide (CID 90155093) is 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide?
The InChIKey is PXAWSYHMHMFXBD-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-22(2,31)18(23)12-26-21(30)15-11-25-20(9-17(15)27-14-4-5-14)29-19-6-3-13-10-24-8-7-16(13)28-19/h3,6-11,14,18,31H,4-5,12H2,1-2H3,(H,26,30)(H2,25,27,28,29)/t18-/m1/s1.
What are the key properties of 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide?
4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 3.18, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90155093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).