N-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide

C22H22N4O3 — CID 22668187

IUPACN-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide
SMILESCc1cc(C(=O)Nc2ccccc2N)ccc1NC(=O)COCc1cccnc1
InChIInChI=1S/C22H22N4O3/c1-15-11-17(22(28)26-20-7-3-2-6-18(20)23)8-9-19(15)25-21(27)14-29-13-16-5-4-10-24-12-16/h2-12H,13-14,23H2,1H3,(H,25,27)(H,26,28)
InChIKeyWJETVGGGJHIVMQ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.38
Rot. Bonds7

About N-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide

N-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide (PubChem CID 22668187) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide
PubChem CID22668187
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide
SMILESCc1cc(C(=O)Nc2ccccc2N)ccc1NC(=O)COCc1cccnc1
InChIInChI=1S/C22H22N4O3/c1-15-11-17(22(28)26-20-7-3-2-6-18(20)23)8-9-19(15)25-21(27)14-29-13-16-5-4-10-24-12-16/h2-12H,13-14,23H2,1H3,(H,25,27)(H,26,28)
InChIKeyWJETVGGGJHIVMQ-UHFFFAOYSA-N
XLogP3.38
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-[[2-(pyridin-3-ylmethoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 166200827
phosphoric acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67397836
pyridin-3-ylmethyl N-[[4-[(2-amino-4-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 10572471
N-(2-aminophenyl)-4-[[formyl(pyridin-3-ylmethoxy)amino]methyl]benzamide;hydrochloride
CID 87384192
N-(2-aminophenyl)-4-(4-pyridin-3-ylbutanoylamino)benzamide
CID 22668144
but-2-enedioic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67399081
(Z)-but-2-enedioic acid;pyridin-3-ylmethyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]carbamate
CID 67401386
4-methoxy-3-methyl-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 100500766
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931
N-(2-aminophenyl)-4-[[2-(thiophen-3-ylmethoxy)acetyl]amino]benzamide
CID 22668078
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate
CID 57350010
N-(2-aminophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43563126

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide?
The IUPAC name of N-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide (CID 22668187) is N-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide is Cc1cc(C(=O)Nc2ccccc2N)ccc1NC(=O)COCc1cccnc1.
What is the InChIKey of N-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide?
The InChIKey is WJETVGGGJHIVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15-11-17(22(28)26-20-7-3-2-6-18(20)23)8-9-19(15)25-21(27)14-29-13-16-5-4-10-24-12-16/h2-12H,13-14,23H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide?
N-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide has a molecular weight of 390.44 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-methyl-4-[[2-(pyridin-3-ylmethoxy)acetyl]amino]benzamide is sourced from PubChem (CID 22668187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).