N-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide

C24H27N5O3 — CID 89119903

IUPACN-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide
SMILESC=C(Nc1ccc(OC)cc1)N(CCO)Cc1ccc(C(=O)Nc2ccccc2N)nc1
InChIInChI=1S/C24H27N5O3/c1-17(27-19-8-10-20(32-2)11-9-19)29(13-14-30)16-18-7-12-23(26-15-18)24(31)28-22-6-4-3-5-21(22)25/h3-12,15,27,30H,1,13-14,16,25H2,2H3,(H,28,31)
InChIKeyZAVJMQWEHGMOSV-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.30
Rot. Bonds10

About N-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide

N-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide (PubChem CID 89119903) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide
PubChem CID89119903
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide
SMILESC=C(Nc1ccc(OC)cc1)N(CCO)Cc1ccc(C(=O)Nc2ccccc2N)nc1
InChIInChI=1S/C24H27N5O3/c1-17(27-19-8-10-20(32-2)11-9-19)29(13-14-30)16-18-7-12-23(26-15-18)24(31)28-22-6-4-3-5-21(22)25/h3-12,15,27,30H,1,13-14,16,25H2,2H3,(H,28,31)
InChIKeyZAVJMQWEHGMOSV-UHFFFAOYSA-N
XLogP3.30
TPSA112.74 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-5-[[1-[4-(dimethylamino)anilino]ethenyl-[4-(dimethylamino)butyl]amino]methyl]pyridine-2-carboxamide
CID 89124435
N-(2-aminophenyl)-5-[[1-(3,4-dimethoxyanilino)ethenyl-(4-morpholin-4-ylbutyl)amino]methyl]pyridine-2-carboxamide
CID 89119876
N-(2-aminophenyl)-5-[[1-[3-[(1Z)-buta-1,3-dienyl]-4-methylanilino]ethenyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 89119926
N-(2-aminophenyl)-5-[[(4-cyanophenyl)carbamoyl-(3-hydroxypropyl)amino]methyl]pyridine-2-carboxamide
CID 25027313
N-(2-aminophenyl)-5-[[carbamoyl-[2-(dimethylamino)ethyl]amino]methyl]pyridine-2-carboxamide
CID 145488633
5-[[1-(4-methoxyanilino)ethenyl-(5-morpholin-4-ylpentyl)amino]methyl]-N-[2-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]phenyl]pyridine-2-carboxamide
CID 89119934
N-(2-aminophenyl)-5-[[1-(pyridin-3-ylamino)ethenyl-(3-pyrrolidin-1-ylpropyl)amino]methyl]pyridine-2-carboxamide
CID 89124441
N-(2-aminophenyl)-5-[[carbamoyl(pentyl)amino]methyl]pyridine-2-carboxamide
CID 145488739
2-[[6-[(2-aminophenyl)carbamoyl]-3-pyridinyl]methyl-[[4-(dimethylamino)phenyl]carbamoyl]amino]acetic acid
CID 59224928
N-(2-aminophenyl)-5-ethylpyridine-2-carboxamide
CID 145488615
N-(2-aminophenyl)-5-[[(3,4-difluorophenyl)carbamoyl-[3-(dimethylamino)propyl]amino]methyl]pyridine-2-carboxamide
CID 25029580
N-(2-aminophenyl)-5-[[3-(dimethylamino)propyl-[(3,4-dimethylphenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 145488767

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide (CID 89119903) is N-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide is C=C(Nc1ccc(OC)cc1)N(CCO)Cc1ccc(C(=O)Nc2ccccc2N)nc1.
What is the InChIKey of N-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide?
The InChIKey is ZAVJMQWEHGMOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-17(27-19-8-10-20(32-2)11-9-19)29(13-14-30)16-18-7-12-23(26-15-18)24(31)28-22-6-4-3-5-21(22)25/h3-12,15,27,30H,1,13-14,16,25H2,2H3,(H,28,31).
What are the key properties of N-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide?
N-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.30, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-5-[[2-hydroxyethyl-[1-(4-methoxyanilino)ethenyl]amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 89119903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).