N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide

C23H23N3O3 — CID 108925892

IUPACN-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(=O)NCc2ccccc2NC(=O)c2cccnc2)c(C)c1
InChIInChI=1S/C23H23N3O3/c1-16-9-10-21(17(2)12-16)29-15-22(27)25-14-18-6-3-4-8-20(18)26-23(28)19-7-5-11-24-13-19/h3-13H,14-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRDOCDCGRZUTCEG-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.65
Rot. Bonds7

About N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide

N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108925892) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108925892
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(=O)NCc2ccccc2NC(=O)c2cccnc2)c(C)c1
InChIInChI=1S/C23H23N3O3/c1-16-9-10-21(17(2)12-16)29-15-22(27)25-14-18-6-3-4-8-20(18)26-23(28)19-7-5-11-24-13-19/h3-13H,14-15H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRDOCDCGRZUTCEG-UHFFFAOYSA-N
XLogP3.65
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926106
N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926070
N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925922
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926036
N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926042
N-[[2-[(3,4-dimethylbenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926065
tert-butyl N-[2-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917947
N-[[2-[(2-phenoxyacetyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926017
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[[2-[[2-(3-methylphenyl)acetyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926105
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (CID 108925892) is N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is Cc1ccc(OCC(=O)NCc2ccccc2NC(=O)c2cccnc2)c(C)c1.
What is the InChIKey of N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is RDOCDCGRZUTCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-16-9-10-21(17(2)12-16)29-15-22(27)25-14-18-6-3-4-8-20(18)26-23(28)19-7-5-11-24-13-19/h3-13H,14-15H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108925892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).