4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide

C23H25N5O — CID 109218895

IUPAC4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cc(Nc4ccccc4)ccn3)cc2)CC1
InChIInChI=1S/C23H25N5O/c1-27-13-15-28(16-14-27)21-9-7-19(8-10-21)26-23(29)22-17-20(11-12-24-22)25-18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,24,25)(H,26,29)
InChIKeyPDHIRMFYMMYETA-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.83
Rot. Bonds5

About 4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide

4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 109218895) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
PubChem CID109218895
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3cc(Nc4ccccc4)ccn3)cc2)CC1
InChIInChI=1S/C23H25N5O/c1-27-13-15-28(16-14-27)21-9-7-19(8-10-21)26-23(29)22-17-20(11-12-24-22)25-18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,24,25)(H,26,29)
InChIKeyPDHIRMFYMMYETA-UHFFFAOYSA-N
XLogP3.83
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218893
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109202033
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
6-[4-(4-methylpiperazin-1-yl)anilino]-N-phenylpyridazine-3-carboxamide
CID 109126707
N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109218754
(4-methylpiperazin-1-yl)-[4-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109208189
4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
CID 63180412
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079711
N-(4-ethylphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215237
N-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109215246

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide (CID 109218895) is 4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide is CN1CCN(c2ccc(NC(=O)c3cc(Nc4ccccc4)ccn3)cc2)CC1.
What is the InChIKey of 4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is PDHIRMFYMMYETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-27-13-15-28(16-14-27)21-9-7-19(8-10-21)26-23(29)22-17-20(11-12-24-22)25-18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,24,25)(H,26,29).
What are the key properties of 4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide?
4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109218895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).