4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide

C24H26N4O — CID 113021054

IUPAC4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccc(N4CCCCC4)cc3)nc2)cc1
InChIInChI=1S/C24H26N4O/c1-18-5-7-19(8-6-18)24(29)27-21-11-14-23(25-17-21)26-20-9-12-22(13-10-20)28-15-3-2-4-16-28/h5-14,17H,2-4,15-16H2,1H3,(H,25,26)(H,27,29)
InChIKeySXTCUJSECRRLGU-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.38
Rot. Bonds5

About 4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide

4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide (PubChem CID 113021054) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
PubChem CID113021054
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccc(N4CCCCC4)cc3)nc2)cc1
InChIInChI=1S/C24H26N4O/c1-18-5-7-19(8-6-18)24(29)27-21-11-14-23(25-17-21)26-20-9-12-22(13-10-20)28-15-3-2-4-16-28/h5-14,17H,2-4,15-16H2,1H3,(H,25,26)(H,27,29)
InChIKeySXTCUJSECRRLGU-UHFFFAOYSA-N
XLogP5.38
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021007
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330
4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide
CID 113049713
6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109163278
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021056
2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide
CID 113021041
N-[6-(4-tert-butylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113018129
2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021055
N-[6-(3,5-dimethylanilino)-3-pyridinyl]-4-methylbenzamide
CID 113017060
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide?
The IUPAC name of 4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide (CID 113021054) is 4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2ccc(Nc3ccc(N4CCCCC4)cc3)nc2)cc1.
What is the InChIKey of 4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide?
The InChIKey is SXTCUJSECRRLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-5-7-19(8-6-18)24(29)27-21-11-14-23(25-17-21)26-20-9-12-22(13-10-20)28-15-3-2-4-16-28/h5-14,17H,2-4,15-16H2,1H3,(H,25,26)(H,27,29).
What are the key properties of 4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide?
4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide has a molecular weight of 386.50 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113021054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).