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

C20H26N4O — CID 113021041

IUPAC2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Nc2ccc(N3CCCCC3)cc2)nc1
InChIInChI=1S/C20H26N4O/c1-15(2)20(25)23-17-8-11-19(21-14-17)22-16-6-9-18(10-7-16)24-12-4-3-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyDYAGNPVNTFONOC-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.41
Rot. Bonds5

About 2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide

2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide (PubChem CID 113021041) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide
PubChem CID113021041
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(Nc2ccc(N3CCCCC3)cc2)nc1
InChIInChI=1S/C20H26N4O/c1-15(2)20(25)23-17-8-11-19(21-14-17)22-16-6-9-18(10-7-16)24-12-4-3-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,21,22)(H,23,25)
InChIKeyDYAGNPVNTFONOC-UHFFFAOYSA-N
XLogP4.41
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.41
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
2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021055
3,4-dimethyl-N-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021007
6-(4-fluoroanilino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109163278
piperidin-1-yl-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109152366
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
3-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021056
N-[6-(3,4-dimethylanilino)-3-pyridinyl]-2-methylpropanamide
CID 113016947
N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113021072
N-(1-phenylethyl)-6-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109156245
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-2-methylpropanamide
CID 113023196
2-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]propanamide
CID 113017883

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide (CID 113021041) is 2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide is CC(C)C(=O)Nc1ccc(Nc2ccc(N3CCCCC3)cc2)nc1.
What is the InChIKey of 2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide?
The InChIKey is DYAGNPVNTFONOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(2)20(25)23-17-8-11-19(21-14-17)22-16-6-9-18(10-7-16)24-12-4-3-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,21,22)(H,23,25).
What are the key properties of 2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide?
2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide has a molecular weight of 338.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]propanamide is sourced from PubChem (CID 113021041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).