3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide

C24H26N4O — CID 113021007

IUPAC3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccc(N4CCCC4)cc3)nc2)cc1C
InChIInChI=1S/C24H26N4O/c1-17-5-6-19(15-18(17)2)24(29)27-21-9-12-23(25-16-21)26-20-7-10-22(11-8-20)28-13-3-4-14-28/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyJVNAGXVBDAMYTG-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.29
Rot. Bonds5

About 3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide

3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide (PubChem CID 113021007) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide
PubChem CID113021007
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Nc3ccc(N4CCCC4)cc3)nc2)cc1C
InChIInChI=1S/C24H26N4O/c1-17-5-6-19(15-18(17)2)24(29)27-21-9-12-23(25-16-21)26-20-7-10-22(11-8-20)28-13-3-4-14-28/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyJVNAGXVBDAMYTG-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
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

4-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021054
3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021056
6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109163278
N-(3,4-dimethylphenyl)-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109356982
2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide
CID 113021041
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109164736
2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021055
N-(3-cyanophenyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109164713
4-methyl-N-[6-(4-pyrrolidin-1-ylanilino)pyridazin-3-yl]benzamide
CID 113049713
piperidin-1-yl-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109152366
3,4-dimethyl-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957323
4-methyl-N-[6-(4-methylanilino)-3-pyridinyl]benzamide
CID 113016330

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide (CID 113021007) is 3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide is Cc1ccc(C(=O)Nc2ccc(Nc3ccc(N4CCCC4)cc3)nc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide?
The InChIKey is JVNAGXVBDAMYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-5-6-19(15-18(17)2)24(29)27-21-9-12-23(25-16-21)26-20-7-10-22(11-8-20)28-13-3-4-14-28/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of 3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide?
3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide has a molecular weight of 386.50 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide is sourced from PubChem (CID 113021007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).