N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

C24H30F3N3O4 — CID 21345642

IUPACN-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnccc1C(F)(F)F)C(N)=O
InChIInChI=1S/C24H30F3N3O4/c1-23(2,34)10-8-16(21(28)32)13-20(31)19(12-15-6-4-3-5-7-15)30-22(33)17-14-29-11-9-18(17)24(25,26)27/h3-7,9,11,14,16,19-20,31,34H,8,10,12-13H2,1-2H3,(H2,28,32)(H,30,33)/t16-,19+,20+/m1/s1
InChIKeyZNIZPJHGPZTDME-UXPWSPDFSA-N
MW481.52 g/mol
LogP2.85
Rot. Bonds11

About N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 21345642) has the molecular formula C24H30F3N3O4 and a molecular weight of 481.52 g/mol. Its IUPAC name is N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID21345642
Molecular FormulaC24H30F3N3O4
Molecular Weight481.52 g/mol
Exact Mass481.22
IUPAC NameN-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnccc1C(F)(F)F)C(N)=O
InChIInChI=1S/C24H30F3N3O4/c1-23(2,34)10-8-16(21(28)32)13-20(31)19(12-15-6-4-3-5-7-15)30-22(33)17-14-29-11-9-18(17)24(25,26)27/h3-7,9,11,14,16,19-20,31,34H,8,10,12-13H2,1-2H3,(H2,28,32)(H,30,33)/t16-,19+,20+/m1/s1
InChIKeyZNIZPJHGPZTDME-UXPWSPDFSA-N
XLogP2.85
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 52.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-naphthalen-2-ylnonan-2-yl]quinoxaline-2-carboxamide
CID 56996151
N-[5-carbamoyl-8-fluoro-3-hydroxy-8-methyl-1-[3-(trifluoromethoxy)phenyl]nonan-2-yl]quinoxaline-2-carboxamide
CID 57217920
N-[(2S,3S,5R)-5-(ethylcarbamoyl)-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-7,8-difluoroquinoline-3-carboxamide
CID 57192037
N'-benzyl-4-(trifluoromethyl)pyridine-3-carbohydrazide
CID 139983814
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 52766251
[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl] quinoline-2-carboxylate
CID 142644185
bis[(2S,3R,5R)-5-carbamoyl-1-(3-fluorophenyl)-8-hydroxy-8-methyl-2-(quinoxaline-2-carbonylamino)nonan-3-yl] sulfate
CID 87964340
N-[(2S,3S,5R)-6-amino-3-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1-phenylhexan-2-yl]quinoxaline-2-carboxamide
CID 57012011
N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-phenylpropan-2-ylamino)butan-2-yl]pyridine-4-carboxamide
CID 71717624
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide
CID 134397359
bis[(2S,3R,5R)-5-carbamoyl-1-(3-fluorophenyl)-8-hydroxy-8-methyl-2-(quinoxaline-2-carbonylamino)nonan-3-yl] but-2-enedioate
CID 173204205

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 21345642) is N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is CC(C)(O)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnccc1C(F)(F)F)C(N)=O.
What is the InChIKey of N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZNIZPJHGPZTDME-UXPWSPDFSA-N. The full InChI is InChI=1S/C24H30F3N3O4/c1-23(2,34)10-8-16(21(28)32)13-20(31)19(12-15-6-4-3-5-7-15)30-22(33)17-14-29-11-9-18(17)24(25,26)27/h3-7,9,11,14,16,19-20,31,34H,8,10,12-13H2,1-2H3,(H2,28,32)(H,30,33)/t16-,19+,20+/m1/s1.
What are the key properties of N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 481.52 g/mol, XLogP of 2.85, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,5R)-5-carbamoyl-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 21345642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).