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

C20H20FN5O2 — CID 67509556

IUPAC6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide
SMILESCCC(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)
InChIKeyBZUGFXRUPNEWCY-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.89
Rot. Bonds7

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

6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide (PubChem CID 67509556) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide
PubChem CID67509556
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide
SMILESCCC(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)
InChIKeyBZUGFXRUPNEWCY-UHFFFAOYSA-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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Related Compounds

6-{[(1R,2S)-2-aminocyclohexyl]amino}-5-cyano-2-[(3-methylphenyl)amino]pyridine-3-carboxamide
CID 69284028
6-((1R,2S)-2-Aminocyclohexylamino)-7-fluoro-4-(m-tolylamino)-1H-pyrrolo[3,4-c]pyridin-3(2H)-one
CID 53252274
6-[(2-Aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide
CID 9949798
6-((1R,2S)-2-aminocyclohexylamino)-2-(m-tolylamino)nicotinamide
CID 44565885
6-[(2-aminocyclohexyl)amino]-8-(3-methylanilino)-3,4-dihydro-2H-2,7-naphthyridin-1-one
CID 123328993
2-amino-5-[2-methyl-4-[(2-phenylacetyl)amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156117919
4,6-Dimethyl-2-(naphthalen-1-ylamino)-nicotinamide
CID 744674
6-[(4-fluorophenyl)methylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 1434200
N-(3,4-Dimethylphenyl)-2-{3-[(4-fluorophenyl)methyl]-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-1-YL}acetamide
CID 16010832
5-Cyano-6-(cyclohexylamino)-2-(3-methylanilino)pyridine-3-carboxamide
CID 155524823
6-[[(1R,2R)-2-aminocyclohexyl]amino]-5-cyano-2-(3-methylanilino)pyridine-3-carboxamide
CID 155534288
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-methylanilino)-5-phenylpyridine-3-carboxamide
CID 155541167

Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide (CID 67509556) is 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide is CCC(Nc1nc(Nc2ccc3ccccc3c2)c(C(N)=O)cc1F)C(N)=O.
What is the InChIKey of 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
The InChIKey is BZUGFXRUPNEWCY-UHFFFAOYSA-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).
What are the key properties of 6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide?
6-[(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-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(naphthalen-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 67509556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).