methyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate

C22H21N3O4 — CID 20716172

IUPACmethyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate
SMILESCOC(=O)N(C(=O)Cc1ccc(Oc2ccccn2)cc1)c1ccnc(C)c1C
InChIInChI=1S/C22H21N3O4/c1-15-16(2)23-13-11-19(15)25(22(27)28-3)21(26)14-17-7-9-18(10-8-17)29-20-6-4-5-12-24-20/h4-13H,14H2,1-3H3
InChIKeyZVWYWJWPOMNZLP-UHFFFAOYSA-N
MW391.43 g/mol
LogP4.23
Rot. Bonds5

About methyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate

methyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate (PubChem CID 20716172) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is methyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate
PubChem CID20716172
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Namemethyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate
SMILESCOC(=O)N(C(=O)Cc1ccc(Oc2ccccn2)cc1)c1ccnc(C)c1C
InChIInChI=1S/C22H21N3O4/c1-15-16(2)23-13-11-19(15)25(22(27)28-3)21(26)14-17-7-9-18(10-8-17)29-20-6-4-5-12-24-20/h4-13H,14H2,1-3H3
InChIKeyZVWYWJWPOMNZLP-UHFFFAOYSA-N
XLogP4.23
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-hydroxyphenyl)-N-methyl-N-(4-pyridin-2-yloxyphenyl)acetamide
CID 84588554
(2,3,6-trimethylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30765960
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36621925
2-methyl-N-[(4-pyridin-2-yloxyphenyl)methyl]propan-2-amine
CID 71120055
2-[4-[(2-methyl-3-pyridinyl)oxy]phenyl]acetic acid
CID 71246278
(4-methylphenyl) 2-(4-pyridin-2-yloxyphenoxy)acetate
CID 30805310
2-[methyl-[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]acetamide
CID 56809048
ethane;2-phenoxypyridine
CID 90835857
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 112814343
methyl 2-[4-(6-methylpyrimidin-4-yl)oxyphenyl]acetate
CID 91179708
4-pyridin-2-yloxybenzenesulfonyl chloride;sulfurochloridic acid
CID 143039139

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate?
The IUPAC name of methyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate (CID 20716172) is methyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate.
What is the SMILES notation for methyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate?
The canonical SMILES for methyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate is COC(=O)N(C(=O)Cc1ccc(Oc2ccccn2)cc1)c1ccnc(C)c1C.
What is the InChIKey of methyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate?
The InChIKey is ZVWYWJWPOMNZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-15-16(2)23-13-11-19(15)25(22(27)28-3)21(26)14-17-7-9-18(10-8-17)29-20-6-4-5-12-24-20/h4-13H,14H2,1-3H3.
What are the key properties of methyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate?
methyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate has a molecular weight of 391.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,3-dimethyl-4-pyridinyl)-N-[2-(4-pyridin-2-yloxyphenyl)acetyl]carbamate is sourced from PubChem (CID 20716172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).