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

C28H35N5O4 — CID 139342101

IUPAC6-methyl-N-[(1R)-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-(oxan-4-yl)-2-oxoethyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)CN3c2ccccc2)C2CCOCC2)n1
InChIInChI=1S/C28H35N5O4/c1-20-7-6-10-23(29-20)25(34)30-24(21-11-17-37-18-12-21)26(35)32-15-13-28(14-16-32)27(36)31(2)19-33(28)22-8-4-3-5-9-22/h3-10,21,24H,11-19H2,1-2H3,(H,30,34)/t24-/m1/s1
InChIKeyGOEQBVUCUFHRTE-XMMPIXPASA-N
MW505.62 g/mol
LogP2.21
Rot. Bonds5

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

6-methyl-N-[(1R)-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-(oxan-4-yl)-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 139342101) has the molecular formula C28H35N5O4 and a molecular weight of 505.62 g/mol. Its IUPAC name is 6-methyl-N-[(1R)-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-(oxan-4-yl)-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(1R)-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-(oxan-4-yl)-2-oxoethyl]pyridine-2-carboxamide
PubChem CID139342101
Molecular FormulaC28H35N5O4
Molecular Weight505.62 g/mol
Exact Mass505.27
IUPAC Name6-methyl-N-[(1R)-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-(oxan-4-yl)-2-oxoethyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)CN3c2ccccc2)C2CCOCC2)n1
InChIInChI=1S/C28H35N5O4/c1-20-7-6-10-23(29-20)25(34)30-24(21-11-17-37-18-12-21)26(35)32-15-13-28(14-16-32)27(36)31(2)19-33(28)22-8-4-3-5-9-22/h3-10,21,24H,11-19H2,1-2H3,(H,30,34)/t24-/m1/s1
InChIKeyGOEQBVUCUFHRTE-XMMPIXPASA-N
XLogP2.21
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1R)-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-(oxan-4-yl)-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[(1R)-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-(oxan-4-yl)-2-oxoethyl]pyridine-2-carboxamide (CID 139342101) is 6-methyl-N-[(1R)-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-(oxan-4-yl)-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[(1R)-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-(oxan-4-yl)-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[(1R)-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-(oxan-4-yl)-2-oxoethyl]pyridine-2-carboxamide is Cc1cccc(C(=O)N[C@@H](C(=O)N2CCC3(CC2)C(=O)N(C)CN3c2ccccc2)C2CCOCC2)n1.
What is the InChIKey of 6-methyl-N-[(1R)-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-(oxan-4-yl)-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is GOEQBVUCUFHRTE-XMMPIXPASA-N. The full InChI is InChI=1S/C28H35N5O4/c1-20-7-6-10-23(29-20)25(34)30-24(21-11-17-37-18-12-21)26(35)32-15-13-28(14-16-32)27(36)31(2)19-33(28)22-8-4-3-5-9-22/h3-10,21,24H,11-19H2,1-2H3,(H,30,34)/t24-/m1/s1.
What are the key properties of 6-methyl-N-[(1R)-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-(oxan-4-yl)-2-oxoethyl]pyridine-2-carboxamide?
6-methyl-N-[(1R)-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-(oxan-4-yl)-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 505.62 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1R)-2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-1-(oxan-4-yl)-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 139342101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).