5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide

C27H33FN4O2 — CID 67355809

IUPAC5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(CN3C[C@@H](F)CC34CCN(C3CCCCC3)C4=O)cc2)cn1
InChIInChI=1S/C27H33FN4O2/c1-29-25(33)24-12-11-21(16-30-24)20-9-7-19(8-10-20)17-31-18-22(28)15-27(31)13-14-32(26(27)34)23-5-3-2-4-6-23/h7-12,16,22-23H,2-6,13-15,17-18H2,1H3,(H,29,33)/t22-,27?/m0/s1
InChIKeyPQUROINPGBJKQH-YMQLSTQVSA-N
MW464.59 g/mol
LogP3.96
Rot. Bonds5

About 5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide

5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide (PubChem CID 67355809) has the molecular formula C27H33FN4O2 and a molecular weight of 464.59 g/mol. Its IUPAC name is 5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide
PubChem CID67355809
Molecular FormulaC27H33FN4O2
Molecular Weight464.59 g/mol
Exact Mass464.26
IUPAC Name5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(CN3C[C@@H](F)CC34CCN(C3CCCCC3)C4=O)cc2)cn1
InChIInChI=1S/C27H33FN4O2/c1-29-25(33)24-12-11-21(16-30-24)20-9-7-19(8-10-20)17-31-18-22(28)15-27(31)13-14-32(26(27)34)23-5-3-2-4-6-23/h7-12,16,22-23H,2-6,13-15,17-18H2,1H3,(H,29,33)/t22-,27?/m0/s1
InChIKeyPQUROINPGBJKQH-YMQLSTQVSA-N
XLogP3.96
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide (CID 67355809) is 5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc(CN3C[C@@H](F)CC34CCN(C3CCCCC3)C4=O)cc2)cn1.
What is the InChIKey of 5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide?
The InChIKey is PQUROINPGBJKQH-YMQLSTQVSA-N. The full InChI is InChI=1S/C27H33FN4O2/c1-29-25(33)24-12-11-21(16-30-24)20-9-7-19(8-10-20)17-31-18-22(28)15-27(31)13-14-32(26(27)34)23-5-3-2-4-6-23/h7-12,16,22-23H,2-6,13-15,17-18H2,1H3,(H,29,33)/t22-,27?/m0/s1.
What are the key properties of 5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide?
5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide has a molecular weight of 464.59 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(3S)-7-cyclohexyl-3-fluoro-6-oxo-1,7-diazaspiro[4.4]nonan-1-yl]methyl]phenyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 67355809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).