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

C24H27ClN4O2 — CID 11532228

IUPACN-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide
SMILESCCCOCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(Cl)c1
InChIInChI=1S/C24H27ClN4O2/c1-2-12-31-13-11-27-15-17-14-20(25)23(28-16-17)18-7-9-19(10-8-18)24(30)29-22-6-4-3-5-21(22)26/h3-10,14,16,27H,2,11-13,15,26H2,1H3,(H,29,30)
InChIKeyDBKXFLNCAPMOCP-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.75
Rot. Bonds10

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

N-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide (PubChem CID 11532228) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide
PubChem CID11532228
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC NameN-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide
SMILESCCCOCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(Cl)c1
InChIInChI=1S/C24H27ClN4O2/c1-2-12-31-13-11-27-15-17-14-20(25)23(28-16-17)18-7-9-19(10-8-18)24(30)29-22-6-4-3-5-21(22)26/h3-10,14,16,27H,2,11-13,15,26H2,1H3,(H,29,30)
InChIKeyDBKXFLNCAPMOCP-UHFFFAOYSA-N
XLogP4.75
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide
CID 11632795
N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide
CID 11718037
N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide
CID 11538465
N-(2-aminophenyl)-4-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide
CID 11530585
N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
CID 11495172
[2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid
CID 68713665
N-(2-aminophenyl)-4-[3-cyano-5-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]-2-pyridinyl]benzamide
CID 67269909
6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide
CID 11525127
N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide
CID 20786059
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-5-(2-propoxyethyl)-1-benzofuran-2-carboxamide
CID 140557054
N-(2-aminophenyl)-5-ethylpyridine-2-carboxamide
CID 145488615
4-[3-chloro-5-(2-methoxyethoxymethoxy)-2-pyridinyl]-N-phenylbenzamide
CID 173185898

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide (CID 11532228) is N-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide is CCCOCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(Cl)c1.
What is the InChIKey of N-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide?
The InChIKey is DBKXFLNCAPMOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-2-12-31-13-11-27-15-17-14-20(25)23(28-16-17)18-7-9-19(10-8-18)24(30)29-22-6-4-3-5-21(22)26/h3-10,14,16,27H,2,11-13,15,26H2,1H3,(H,29,30).
What are the key properties of N-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide?
N-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide has a molecular weight of 438.96 g/mol, XLogP of 4.75, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 11532228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).