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

C24H28N4O — CID 11718037

IUPACN-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide
SMILESCCCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1
InChIInChI=1S/C24H28N4O/c1-3-4-13-26-15-18-14-17(2)23(27-16-18)19-9-11-20(12-10-19)24(29)28-22-8-6-5-7-21(22)25/h5-12,14,16,26H,3-4,13,15,25H2,1-2H3,(H,28,29)
InChIKeyRLKFMLUZTVNFTO-UHFFFAOYSA-N
MW388.52 g/mol
LogP4.78
Rot. Bonds8

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

N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide (PubChem CID 11718037) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide
PubChem CID11718037
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide
SMILESCCCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1
InChIInChI=1S/C24H28N4O/c1-3-4-13-26-15-18-14-17(2)23(27-16-18)19-9-11-20(12-10-19)24(29)28-22-8-6-5-7-21(22)25/h5-12,14,16,26H,3-4,13,15,25H2,1-2H3,(H,28,29)
InChIKeyRLKFMLUZTVNFTO-UHFFFAOYSA-N
XLogP4.78
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(ethylaminomethyl)-3-methyl-2-pyridinyl]benzamide
CID 11530585
N-(2-aminophenyl)-4-[5-[(2-ethoxyethylamino)methyl]-3-methyl-2-pyridinyl]benzamide
CID 11632795
N-(2-aminophenyl)-4-[3-chloro-5-[(2-propoxyethylamino)methyl]-2-pyridinyl]benzamide
CID 11532228
6-[4-[(2-aminophenyl)carbamoyl]phenyl]-N-[2-(diethylamino)ethyl]-5-methylpyridine-3-carboxamide
CID 11525127
N-(2-aminophenyl)-4-[3-chloro-5-[(propan-2-ylamino)methyl]-2-pyridinyl]benzamide
CID 11538465
N-(2-aminophenyl)-4-[3-cyano-5-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]-2-pyridinyl]benzamide
CID 67269909
N-(2-aminophenyl)-4-[3-chloro-5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]benzamide
CID 11495172
N-(2-aminophenyl)-4-[[6-[4-[(4-methylphenyl)methylamino]butylamino]hexanoylamino]methyl]benzamide
CID 24883370
N-(2-aminophenyl)-4-(3-ethylphenyl)benzamide
CID 20786059
[2-[[4-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]benzoyl]amino]phenyl]carbamic acid
CID 68713665
N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide
CID 22478639
N-(2-aminophenyl)-5-ethylpyridine-2-carboxamide
CID 145488615

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide (CID 11718037) is N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide is CCCCNCc1cnc(-c2ccc(C(=O)Nc3ccccc3N)cc2)c(C)c1.
What is the InChIKey of N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide?
The InChIKey is RLKFMLUZTVNFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-3-4-13-26-15-18-14-17(2)23(27-16-18)19-9-11-20(12-10-19)24(29)28-22-8-6-5-7-21(22)25/h5-12,14,16,26H,3-4,13,15,25H2,1-2H3,(H,28,29).
What are the key properties of N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide?
N-(2-aminophenyl)-4-[5-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide has a molecular weight of 388.52 g/mol, XLogP of 4.78, 8 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-(butylaminomethyl)-3-methyl-2-pyridinyl]benzamide is sourced from PubChem (CID 11718037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).