N-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide

C27H34N6O2 — CID 89124325

IUPACN-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide
SMILESC/C=C(/Nc1cccc(OC)c1)N(CCN(C)C)Cc1ccc(C(=O)Nc2ccccc2N)cn1
InChIInChI=1S/C27H34N6O2/c1-5-26(30-21-9-8-10-23(17-21)35-4)33(16-15-32(2)3)19-22-14-13-20(18-29-22)27(34)31-25-12-7-6-11-24(25)28/h5-14,17-18,30H,15-16,19,28H2,1-4H3,(H,31,34)/b26-5-
InChIKeyWUTQXZNCFRHHAD-PLYROHNOSA-N
MW474.61 g/mol
LogP4.26
Rot. Bonds11

About N-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide

N-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide (PubChem CID 89124325) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide
PubChem CID89124325
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC NameN-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide
SMILESC/C=C(/Nc1cccc(OC)c1)N(CCN(C)C)Cc1ccc(C(=O)Nc2ccccc2N)cn1
InChIInChI=1S/C27H34N6O2/c1-5-26(30-21-9-8-10-23(17-21)35-4)33(16-15-32(2)3)19-22-14-13-20(18-29-22)27(34)31-25-12-7-6-11-24(25)28/h5-14,17-18,30H,15-16,19,28H2,1-4H3,(H,31,34)/b26-5-
InChIKeyWUTQXZNCFRHHAD-PLYROHNOSA-N
XLogP4.26
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide
CID 22478895
5-N-(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 47460212
2-N,5-N-bis(3-methoxyphenyl)pyridine-2,5-dicarboxamide
CID 1368781
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
2-N-(2-aminophenyl)-5-N-[2-(dimethylamino)ethyl]pyridine-2,5-dicarboxamide
CID 10019343
N-(2-aminophenyl)-5-[[2-(dimethylamino)ethyl-[(3-fluorophenyl)carbamoyl]amino]methyl]pyridine-2-carboxamide
CID 25030763
5-N-(2-ethoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108895
5-N-(2-methoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108873
N-(3-methoxyphenyl)-6-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109160801
methyl 2-[[5-[(3-methoxyphenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109163985
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
N-(2-aminophenyl)-6-[[cyclohexyl(propanoyl)amino]methyl]pyridine-3-carboxamide
CID 91021018

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide (CID 89124325) is N-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide is C/C=C(/Nc1cccc(OC)c1)N(CCN(C)C)Cc1ccc(C(=O)Nc2ccccc2N)cn1.
What is the InChIKey of N-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide?
The InChIKey is WUTQXZNCFRHHAD-PLYROHNOSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-5-26(30-21-9-8-10-23(17-21)35-4)33(16-15-32(2)3)19-22-14-13-20(18-29-22)27(34)31-25-12-7-6-11-24(25)28/h5-14,17-18,30H,15-16,19,28H2,1-4H3,(H,31,34)/b26-5-.
What are the key properties of N-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide?
N-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 4.26, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-6-[[2-(dimethylamino)ethyl-[(Z)-1-(3-methoxyanilino)prop-1-enyl]amino]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 89124325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).