N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide

C22H24N4O — CID 11530585

IUPACN-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide
SMILESCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1
InChIInChI=1S/C22H24N4O/c1-3-24-13-16-12-15(2)21(25-14-16)17-8-10-18(11-9-17)22(27)26-20-7-5-4-6-19(20)23/h4-12,14,24H,3,13,23H2,1-2H3,(H,26,27)
InChIKeyBITSAAZFXRNBGH-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.00
Rot. Bonds6

About N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide

N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide (PubChem CID 11530585) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide
PubChem CID11530585
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide
SMILESCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1
InChIInChI=1S/C22H24N4O/c1-3-24-13-16-12-15(2)21(25-14-16)17-8-10-18(11-9-17)22(27)26-20-7-5-4-6-19(20)23/h4-12,14,24H,3,13,23H2,1-2H3,(H,26,27)
InChIKeyBITSAAZFXRNBGH-UHFFFAOYSA-N
XLogP4.00
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide (CID 11530585) is N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide is CCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1.
What is the InChIKey of N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide?
The InChIKey is BITSAAZFXRNBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-24-13-16-12-15(2)21(25-14-16)17-8-10-18(11-9-17)22(27)26-20-7-5-4-6-19(20)23/h4-12,14,24H,3,13,23H2,1-2H3,(H,26,27).
What are the key properties of N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide?
N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide has a molecular weight of 360.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide is sourced from PubChem (CID 11530585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).