1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide

C22H23N3O4 — CID 55803883

IUPAC1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCCCOc1ccc(Oc2ncccc2CNC(=O)c2ccn(C)c(=O)c2)cc1
InChIInChI=1S/C22H23N3O4/c1-3-13-28-18-6-8-19(9-7-18)29-22-17(5-4-11-23-22)15-24-21(27)16-10-12-25(2)20(26)14-16/h4-12,14H,3,13,15H2,1-2H3,(H,24,27)
InChIKeyOEEBWVHSYSPLBV-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.29
Rot. Bonds8

About 1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide

1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide (PubChem CID 55803883) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
PubChem CID55803883
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESCCCOc1ccc(Oc2ncccc2CNC(=O)c2ccn(C)c(=O)c2)cc1
InChIInChI=1S/C22H23N3O4/c1-3-13-28-18-6-8-19(9-7-18)29-22-17(5-4-11-23-22)15-24-21(27)16-10-12-25(2)20(26)14-16/h4-12,14H,3,13,15H2,1-2H3,(H,24,27)
InChIKeyOEEBWVHSYSPLBV-UHFFFAOYSA-N
XLogP3.29
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

methyl 3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]benzoate
CID 55803950
3,5-difluoro-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]benzamide
CID 55803628
3,5-dimethyl-4-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 55803729
2-methyl-1-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110970637
1-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549457
(2S)-2-amino-4-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pentanamide
CID 119857037
1-[2-oxo-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methylamino]ethyl]cyclobutane-1-carboxylic acid
CID 120549456
1-methyl-2-oxo-N-[(2-phenylmethoxyphenyl)methyl]pyridine-4-carboxamide
CID 75461382
1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 55880955
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 111404623
6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 42458039
1-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970119

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide (CID 55803883) is 1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide is CCCOc1ccc(Oc2ncccc2CNC(=O)c2ccn(C)c(=O)c2)cc1.
What is the InChIKey of 1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The InChIKey is OEEBWVHSYSPLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-13-28-18-6-8-19(9-7-18)29-22-17(5-4-11-23-22)15-24-21(27)16-10-12-25(2)20(26)14-16/h4-12,14H,3,13,15H2,1-2H3,(H,24,27).
What are the key properties of 1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide?
1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 55803883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).