N-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide

C29H37N5O3 — CID 118417342

IUPACN-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)CN3c2ccccc2)C2CCCCC2)n1
InChIInChI=1S/C29H37N5O3/c1-21-10-9-15-24(30-21)26(35)31-25(22-11-5-3-6-12-22)27(36)33-18-16-29(17-19-33)28(37)32(2)20-34(29)23-13-7-4-8-14-23/h4,7-10,13-15,22,25H,3,5-6,11-12,16-20H2,1-2H3,(H,31,35)/t25-/m1/s1
InChIKeyHMMKTOTVSKERTC-RUZDIDTESA-N
MW503.65 g/mol
LogP3.37
Rot. Bonds5

About N-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide

N-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide (PubChem CID 118417342) has the molecular formula C29H37N5O3 and a molecular weight of 503.65 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide
PubChem CID118417342
Molecular FormulaC29H37N5O3
Molecular Weight503.65 g/mol
Exact Mass503.29
IUPAC NameN-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)CN3c2ccccc2)C2CCCCC2)n1
InChIInChI=1S/C29H37N5O3/c1-21-10-9-15-24(30-21)26(35)31-25(22-11-5-3-6-12-22)27(36)33-18-16-29(17-19-33)28(37)32(2)20-34(29)23-13-7-4-8-14-23/h4,7-10,13-15,22,25H,3,5-6,11-12,16-20H2,1-2H3,(H,31,35)/t25-/m1/s1
InChIKeyHMMKTOTVSKERTC-RUZDIDTESA-N
XLogP3.37
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.65
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide (CID 118417342) is N-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)CN3c2ccccc2)C2CCCCC2)n1.
What is the InChIKey of N-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide?
The InChIKey is HMMKTOTVSKERTC-RUZDIDTESA-N. The full InChI is InChI=1S/C29H37N5O3/c1-21-10-9-15-24(30-21)26(35)31-25(22-11-5-3-6-12-22)27(36)33-18-16-29(17-19-33)28(37)32(2)20-34(29)23-13-7-4-8-14-23/h4,7-10,13-15,22,25H,3,5-6,11-12,16-20H2,1-2H3,(H,31,35)/t25-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide?
N-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide has a molecular weight of 503.65 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexyl-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 118417342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).