6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide

C20H20FN5O2 — CID 67509553

IUPAC6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide
SMILESCC[C@@H](Nc1nc(Nc2ccc3ccccc3c2)c(C(N)=O)cc1F)C(N)=O
InChIInChI=1S/C20H20FN5O2/c1-2-16(18(23)28)25-20-15(21)10-14(17(22)27)19(26-20)24-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,16H,2H2,1H3,(H2,22,27)(H2,23,28)(H2,24,25,26)/t16-/m1/s1
InChIKeyBZUGFXRUPNEWCY-MRXNPFEDSA-N
MW381.41 g/mol
LogP2.89
Rot. Bonds7

About 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide

6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide (PubChem CID 67509553) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide
PubChem CID67509553
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide
SMILESCC[C@@H](Nc1nc(Nc2ccc3ccccc3c2)c(C(N)=O)cc1F)C(N)=O
InChIInChI=1S/C20H20FN5O2/c1-2-16(18(23)28)25-20-15(21)10-14(17(22)27)19(26-20)24-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,16H,2H2,1H3,(H2,22,27)(H2,23,28)(H2,24,25,26)/t16-/m1/s1
InChIKeyBZUGFXRUPNEWCY-MRXNPFEDSA-N
XLogP2.89
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide (CID 67509553) is 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide is CC[C@@H](Nc1nc(Nc2ccc3ccccc3c2)c(C(N)=O)cc1F)C(N)=O.
What is the InChIKey of 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
The InChIKey is BZUGFXRUPNEWCY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-2-16(18(23)28)25-20-15(21)10-14(17(22)27)19(26-20)24-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,16H,2H2,1H3,(H2,22,27)(H2,23,28)(H2,24,25,26)/t16-/m1/s1.
What are the key properties of 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-1-amino-1-oxobutan-2-yl]amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67509553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).