5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide

C26H26F2N4O3 — CID 137430117

IUPAC5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide
SMILESCc1cc(NC(=O)NC2c3cc(F)c(F)cc3C(C)(C)C[C@H]2O)c(-c2ccccc2)nc1C(N)=O
InChIInChI=1S/C26H26F2N4O3/c1-13-9-19(22(31-21(13)24(29)34)14-7-5-4-6-8-14)30-25(35)32-23-15-10-17(27)18(28)11-16(15)26(2,3)12-20(23)33/h4-11,20,23,33H,12H2,1-3H3,(H2,29,34)(H2,30,32,35)/t20-,23?/m1/s1
InChIKeyPYGREIRRHOFADQ-PPUHSXQSSA-N
MW480.52 g/mol
LogP4.34
Rot. Bonds4

About 5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide

5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide (PubChem CID 137430117) has the molecular formula C26H26F2N4O3 and a molecular weight of 480.52 g/mol. Its IUPAC name is 5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide
PubChem CID137430117
Molecular FormulaC26H26F2N4O3
Molecular Weight480.52 g/mol
Exact Mass480.20
IUPAC Name5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide
SMILESCc1cc(NC(=O)NC2c3cc(F)c(F)cc3C(C)(C)C[C@H]2O)c(-c2ccccc2)nc1C(N)=O
InChIInChI=1S/C26H26F2N4O3/c1-13-9-19(22(31-21(13)24(29)34)14-7-5-4-6-8-14)30-25(35)32-23-15-10-17(27)18(28)11-16(15)26(2,3)12-20(23)33/h4-11,20,23,33H,12H2,1-3H3,(H2,29,34)(H2,30,32,35)/t20-,23?/m1/s1
InChIKeyPYGREIRRHOFADQ-PPUHSXQSSA-N
XLogP4.34
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide?
The IUPAC name of 5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide (CID 137430117) is 5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide is Cc1cc(NC(=O)NC2c3cc(F)c(F)cc3C(C)(C)C[C@H]2O)c(-c2ccccc2)nc1C(N)=O.
What is the InChIKey of 5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide?
The InChIKey is PYGREIRRHOFADQ-PPUHSXQSSA-N. The full InChI is InChI=1S/C26H26F2N4O3/c1-13-9-19(22(31-21(13)24(29)34)14-7-5-4-6-8-14)30-25(35)32-23-15-10-17(27)18(28)11-16(15)26(2,3)12-20(23)33/h4-11,20,23,33H,12H2,1-3H3,(H2,29,34)(H2,30,32,35)/t20-,23?/m1/s1.
What are the key properties of 5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide?
5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide has a molecular weight of 480.52 g/mol, XLogP of 4.34, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-6-phenylpyridine-2-carboxamide is sourced from PubChem (CID 137430117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).