N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

C23H25N5O — CID 134535517

IUPACN-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)nc2)CC1
InChIInChI=1S/C23H25N5O/c1-27-11-13-28(14-12-27)19-8-10-21(25-16-19)23(29)26-22-15-18(7-9-20(22)24)17-5-3-2-4-6-17/h2-10,15-16H,11-14,24H2,1H3,(H,26,29)
InChIKeyLTVKIZCEVRJVFV-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.33
Rot. Bonds4

About N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 134535517) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID134535517
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)nc2)CC1
InChIInChI=1S/C23H25N5O/c1-27-11-13-28(14-12-27)19-8-10-21(25-16-19)23(29)26-22-15-18(7-9-20(22)24)17-5-3-2-4-6-17/h2-10,15-16H,11-14,24H2,1H3,(H,26,29)
InChIKeyLTVKIZCEVRJVFV-UHFFFAOYSA-N
XLogP3.33
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186568
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186586
2-N-methyl-4-[4-(4-methylpiperazin-1-yl)phenyl]benzene-1,2-diamine
CID 167284954
N-[2,6-di(propan-2-yl)phenyl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186575
5-(2-hydroxy-5-methylphenyl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyridine-2-carboxamide
CID 172895620
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 59737553
5-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109186547
N-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide
CID 134535543
benzhydryl 5-(4-methylpiperazin-1-yl)pyridine-2-carboxylate
CID 100942961
N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 134535394
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186573

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 134535517) is N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is CN1CCN(c2ccc(C(=O)Nc3cc(-c4ccccc4)ccc3N)nc2)CC1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is LTVKIZCEVRJVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-27-11-13-28(14-12-27)19-8-10-21(25-16-19)23(29)26-22-15-18(7-9-20(22)24)17-5-3-2-4-6-17/h2-10,15-16H,11-14,24H2,1H3,(H,26,29).
What are the key properties of N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-phenylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 134535517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).