1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide

C21H26N2O4 — CID 91780251

IUPAC1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C21H26N2O4/c1-14-11-15(2)23(3)21(25)19(14)20(24)22-17-13-26-10-9-18(17)27-12-16-7-5-4-6-8-16/h4-8,11,17-18H,9-10,12-13H2,1-3H3,(H,22,24)/t17-,18+/m1/s1
InChIKeyXEWMMTZECLKMFS-MSOLQXFVSA-N
MW370.45 g/mol
LogP2.11
Rot. Bonds5

About 1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide

1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide (PubChem CID 91780251) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide
PubChem CID91780251
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1
InChIInChI=1S/C21H26N2O4/c1-14-11-15(2)23(3)21(25)19(14)20(24)22-17-13-26-10-9-18(17)27-12-16-7-5-4-6-8-16/h4-8,11,17-18H,9-10,12-13H2,1-3H3,(H,22,24)/t17-,18+/m1/s1
InChIKeyXEWMMTZECLKMFS-MSOLQXFVSA-N
XLogP2.11
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide (CID 91780251) is 1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide is Cc1cc(C)n(C)c(=O)c1C(=O)N[C@@H]1COCC[C@@H]1OCc1ccccc1.
What is the InChIKey of 1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide?
The InChIKey is XEWMMTZECLKMFS-MSOLQXFVSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-14-11-15(2)23(3)21(25)19(14)20(24)22-17-13-26-10-9-18(17)27-12-16-7-5-4-6-8-16/h4-8,11,17-18H,9-10,12-13H2,1-3H3,(H,22,24)/t17-,18+/m1/s1.
What are the key properties of 1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide?
1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-2-oxo-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91780251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).