2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide

C25H31N5O2 — CID 6490061

IUPAC2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
SMILESCC(=O)NC(Cc1cccc(C)c1)C(=O)NC1CCN(c2nc(C)cc(C)c2C#N)CC1
InChIInChI=1S/C25H31N5O2/c1-16-6-5-7-20(12-16)14-23(28-19(4)31)25(32)29-21-8-10-30(11-9-21)24-22(15-26)17(2)13-18(3)27-24/h5-7,12-13,21,23H,8-11,14H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyNYYPERPKFNSVHI-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.71
Rot. Bonds6

About 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide

2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide (PubChem CID 6490061) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
PubChem CID6490061
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
SMILESCC(=O)NC(Cc1cccc(C)c1)C(=O)NC1CCN(c2nc(C)cc(C)c2C#N)CC1
InChIInChI=1S/C25H31N5O2/c1-16-6-5-7-20(12-16)14-23(28-19(4)31)25(32)29-21-8-10-30(11-9-21)24-22(15-26)17(2)13-18(3)27-24/h5-7,12-13,21,23H,8-11,14H2,1-4H3,(H,28,31)(H,29,32)
InChIKeyNYYPERPKFNSVHI-UHFFFAOYSA-N
XLogP2.71
TPSA98.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide?
The IUPAC name of 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide (CID 6490061) is 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide is CC(=O)NC(Cc1cccc(C)c1)C(=O)NC1CCN(c2nc(C)cc(C)c2C#N)CC1.
What is the InChIKey of 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide?
The InChIKey is NYYPERPKFNSVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-16-6-5-7-20(12-16)14-23(28-19(4)31)25(32)29-21-8-10-30(11-9-21)24-22(15-26)17(2)13-18(3)27-24/h5-7,12-13,21,23H,8-11,14H2,1-4H3,(H,28,31)(H,29,32).
What are the key properties of 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide?
2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide has a molecular weight of 433.56 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 6490061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).