1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide

C34H46FN3O4 — CID 134209741

IUPAC1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
SMILESC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3F)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C34H46FN3O4/c1-24(19-25-11-5-4-6-12-25)31(40)37-18-17-34(42,33(22-37)15-9-10-16-33)23-38-21-28(32(41)36(2)3)27(20-30(38)39)26-13-7-8-14-29(26)35/h7-8,13-14,20-21,24-25,42H,4-6,9-12,15-19,22-23H2,1-3H3/t24-,34-/m1/s1
InChIKeyKRHMMADNMJKZFE-PBUKZNKTSA-N
MW579.76 g/mol
LogP5.49
Rot. Bonds7

About 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide

1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 134209741) has the molecular formula C34H46FN3O4 and a molecular weight of 579.76 g/mol. Its IUPAC name is 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID134209741
Molecular FormulaC34H46FN3O4
Molecular Weight579.76 g/mol
Exact Mass579.35
IUPAC Name1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
SMILESC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3F)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C34H46FN3O4/c1-24(19-25-11-5-4-6-12-25)31(40)37-18-17-34(42,33(22-37)15-9-10-16-33)23-38-21-28(32(41)36(2)3)27(20-30(38)39)26-13-7-8-14-29(26)35/h7-8,13-14,20-21,24-25,42H,4-6,9-12,15-19,22-23H2,1-3H3/t24-,34-/m1/s1
InChIKeyKRHMMADNMJKZFE-PBUKZNKTSA-N
XLogP5.49
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.76
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide (CID 134209741) is 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide is C[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3F)cc2=O)C2(CCCC2)C1.
What is the InChIKey of 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is KRHMMADNMJKZFE-PBUKZNKTSA-N. The full InChI is InChI=1S/C34H46FN3O4/c1-24(19-25-11-5-4-6-12-25)31(40)37-18-17-34(42,33(22-37)15-9-10-16-33)23-38-21-28(32(41)36(2)3)27(20-30(38)39)26-13-7-8-14-29(26)35/h7-8,13-14,20-21,24-25,42H,4-6,9-12,15-19,22-23H2,1-3H3/t24-,34-/m1/s1.
What are the key properties of 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide?
1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 579.76 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 134209741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).