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

C30H30F2N6O4 — CID 156596232

IUPAC5-[[(1R,2S)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide
SMILESCc1nnc(CNC(=O)c2nc(-c3ccccc3)c(NC(=O)N[C@@H]3c4cc(F)c(F)cc4C(C)(C)C[C@@H]3O)cc2C)o1
InChIInChI=1S/C30H30F2N6O4/c1-15-10-22(34-29(41)36-27-18-11-20(31)21(32)12-19(18)30(3,4)13-23(27)39)26(17-8-6-5-7-9-17)35-25(15)28(40)33-14-24-38-37-16(2)42-24/h5-12,23,27,39H,13-14H2,1-4H3,(H,33,40)(H2,34,36,41)/t23-,27+/m0/s1
InChIKeyBJXIGPBXAXVYLX-WNCULLNHSA-N
MW576.60 g/mol
LogP4.86
Rot. Bonds6

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

5-[[(1R,2S)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide (PubChem CID 156596232) has the molecular formula C30H30F2N6O4 and a molecular weight of 576.60 g/mol. Its IUPAC name is 5-[[(1R,2S)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2S)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide
PubChem CID156596232
Molecular FormulaC30H30F2N6O4
Molecular Weight576.60 g/mol
Exact Mass576.23
IUPAC Name5-[[(1R,2S)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide
SMILESCc1nnc(CNC(=O)c2nc(-c3ccccc3)c(NC(=O)N[C@@H]3c4cc(F)c(F)cc4C(C)(C)C[C@@H]3O)cc2C)o1
InChIInChI=1S/C30H30F2N6O4/c1-15-10-22(34-29(41)36-27-18-11-20(31)21(32)12-19(18)30(3,4)13-23(27)39)26(17-8-6-5-7-9-17)35-25(15)28(40)33-14-24-38-37-16(2)42-24/h5-12,23,27,39H,13-14H2,1-4H3,(H,33,40)(H2,34,36,41)/t23-,27+/m0/s1
InChIKeyBJXIGPBXAXVYLX-WNCULLNHSA-N
XLogP4.86
TPSA142.27 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.60
LogP ≤ 54.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide?
The IUPAC name of 5-[[(1R,2S)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide (CID 156596232) is 5-[[(1R,2S)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[(1R,2S)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide?
The canonical SMILES for 5-[[(1R,2S)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide is Cc1nnc(CNC(=O)c2nc(-c3ccccc3)c(NC(=O)N[C@@H]3c4cc(F)c(F)cc4C(C)(C)C[C@@H]3O)cc2C)o1.
What is the InChIKey of 5-[[(1R,2S)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide?
The InChIKey is BJXIGPBXAXVYLX-WNCULLNHSA-N. The full InChI is InChI=1S/C30H30F2N6O4/c1-15-10-22(34-29(41)36-27-18-11-20(31)21(32)12-19(18)30(3,4)13-23(27)39)26(17-8-6-5-7-9-17)35-25(15)28(40)33-14-24-38-37-16(2)42-24/h5-12,23,27,39H,13-14H2,1-4H3,(H,33,40)(H2,34,36,41)/t23-,27+/m0/s1.
What are the key properties of 5-[[(1R,2S)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide?
5-[[(1R,2S)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide has a molecular weight of 576.60 g/mol, XLogP of 4.86, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-6,7-difluoro-2-hydroxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoylamino]-3-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-6-phenylpyridine-2-carboxamide is sourced from PubChem (CID 156596232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).