2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide

C16H18N2O4 — CID 67428238

IUPAC2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCOc1cnc(OC)c(C(=O)N(C)c2ccccc2)c1OC
InChIInChI=1S/C16H18N2O4/c1-18(11-8-6-5-7-9-11)16(19)13-14(21-3)12(20-2)10-17-15(13)22-4/h5-10H,1-4H3
InChIKeyLOTVYNBBONIGMM-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.38
Rot. Bonds5

About 2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide

2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide (PubChem CID 67428238) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide
PubChem CID67428238
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide
SMILESCOc1cnc(OC)c(C(=O)N(C)c2ccccc2)c1OC
InChIInChI=1S/C16H18N2O4/c1-18(11-8-6-5-7-9-11)16(19)13-14(21-3)12(20-2)10-17-15(13)22-4/h5-10H,1-4H3
InChIKeyLOTVYNBBONIGMM-UHFFFAOYSA-N
XLogP2.38
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide (CID 67428238) is 2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide is COc1cnc(OC)c(C(=O)N(C)c2ccccc2)c1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide?
The InChIKey is LOTVYNBBONIGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-18(11-8-6-5-7-9-11)16(19)13-14(21-3)12(20-2)10-17-15(13)22-4/h5-10H,1-4H3.
What are the key properties of 2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide?
2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-methyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 67428238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).