6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide

C19H21F4N5O3 — CID 123699553

IUPAC6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
SMILESCCC(C(N)=O)C(C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)c(C(N)=O)cc1F
InChIInChI=1S/C19H21F4N5O3/c1-3-12(15(24)29)9(2)26-18-14(20)8-13(16(25)30)17(28-18)27-10-5-4-6-11(7-10)31-19(21,22)23/h4-9,12H,3H2,1-2H3,(H2,24,29)(H2,25,30)(H2,26,27,28)
InChIKeyPFPSGEDXSAALRI-UHFFFAOYSA-N
MW443.40 g/mol
LogP3.27
Rot. Bonds9

About 6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide

6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide (PubChem CID 123699553) has the molecular formula C19H21F4N5O3 and a molecular weight of 443.40 g/mol. Its IUPAC name is 6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
PubChem CID123699553
Molecular FormulaC19H21F4N5O3
Molecular Weight443.40 g/mol
Exact Mass443.16
IUPAC Name6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
SMILESCCC(C(N)=O)C(C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)c(C(N)=O)cc1F
InChIInChI=1S/C19H21F4N5O3/c1-3-12(15(24)29)9(2)26-18-14(20)8-13(16(25)30)17(28-18)27-10-5-4-6-11(7-10)31-19(21,22)23/h4-9,12H,3H2,1-2H3,(H2,24,29)(H2,25,30)(H2,26,27,28)
InChIKeyPFPSGEDXSAALRI-UHFFFAOYSA-N
XLogP3.27
TPSA132.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67509066
6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305750
6-(4-aminobutan-2-ylamino)-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67510408
6-(3-aminobutan-2-ylamino)-5-fluoro-2-[(7-methoxyquinolin-3-yl)amino]pyridine-3-carboxamide
CID 135305703
6-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 69284810
6-[[(2S)-2-aminopropyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 57335824
6-(2-aminopentan-3-ylamino)-5-fluoro-2-[[6-methoxy-5-(triazol-2-yl)-3-pyridinyl]amino]pyridine-3-carboxamide
CID 135305755
6-[[(2S,3R)-3-aminobutan-2-yl]amino]-5-fluoro-2-[(5-phenyl-3-pyridinyl)amino]pyridine-3-carboxamide;pyridine-3-carboxamide
CID 158206306
6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide
CID 135305660
2-amino-1-[4-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-en-1-ol
CID 89127958
2-(4-fluoroanilino)-1-[3-(trifluoromethoxy)phenyl]butan-1-one
CID 138627399
6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide
CID 67775101

Frequently Asked Questions

What is the IUPAC name of 6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
The IUPAC name of 6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide (CID 123699553) is 6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide is CCC(C(N)=O)C(C)Nc1nc(Nc2cccc(OC(F)(F)F)c2)c(C(N)=O)cc1F.
What is the InChIKey of 6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
The InChIKey is PFPSGEDXSAALRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F4N5O3/c1-3-12(15(24)29)9(2)26-18-14(20)8-13(16(25)30)17(28-18)27-10-5-4-6-11(7-10)31-19(21,22)23/h4-9,12H,3H2,1-2H3,(H2,24,29)(H2,25,30)(H2,26,27,28).
What are the key properties of 6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide has a molecular weight of 443.40 g/mol, XLogP of 3.27, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 123699553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).