N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide

C22H22N4O3 — CID 87384844

IUPACN-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide
SMILESCc1ncccc1CON(C=O)Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C22H22N4O3/c1-16-19(5-4-12-24-16)14-29-26(15-27)13-17-8-10-18(11-9-17)22(28)25-21-7-3-2-6-20(21)23/h2-12,15H,13-14,23H2,1H3,(H,25,28)
InChIKeyVRNQZKOSZLCOKU-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.31
Rot. Bonds8

About N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide

N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide (PubChem CID 87384844) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide
PubChem CID87384844
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide
SMILESCc1ncccc1CON(C=O)Cc1ccc(C(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C22H22N4O3/c1-16-19(5-4-12-24-16)14-29-26(15-27)13-17-8-10-18(11-9-17)22(28)25-21-7-3-2-6-20(21)23/h2-12,15H,13-14,23H2,1H3,(H,25,28)
InChIKeyVRNQZKOSZLCOKU-UHFFFAOYSA-N
XLogP3.31
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)-4-[[formyl(pyridin-3-ylmethoxy)amino]methyl]benzamide;hydrochloride
CID 87384192
N-(2-aminophenyl)-4-[[formyl(1,2-oxazol-5-yl)amino]methyl]benzamide
CID 87384730
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate
CID 68850955
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(pyridin-3-ylmethyl)carbamate
CID 57350010
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyridin-3-ylcarbamate;sulfuric acid
CID 68850450
4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
CID 11417056
4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride
CID 67398267
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-(6-methyl-2-pyridinyl)carbamate
CID 68847526
N-(2-aminophenyl)-4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzamide
CID 11494562
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
CID 102467936

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide (CID 87384844) is N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide is Cc1ncccc1CON(C=O)Cc1ccc(C(=O)Nc2ccccc2N)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide?
The InChIKey is VRNQZKOSZLCOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-16-19(5-4-12-24-16)14-29-26(15-27)13-17-8-10-18(11-9-17)22(28)25-21-7-3-2-6-20(21)23/h2-12,15H,13-14,23H2,1H3,(H,25,28).
What are the key properties of N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide?
N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide has a molecular weight of 390.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide is sourced from PubChem (CID 87384844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).