2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide

C18H21N3O2 — CID 656326

IUPAC2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide
SMILESCc1cc(NC(=O)C(C)C)ncc1NC(=O)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-12(2)18(23)21-16-9-13(3)15(11-19-16)20-17(22)10-14-7-5-4-6-8-14/h4-9,11-12H,10H2,1-3H3,(H,20,22)(H,19,21,23)
InChIKeyQWBLWMVHIOYAJB-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.17
Rot. Bonds5

About 2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide

2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide (PubChem CID 656326) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide
PubChem CID656326
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide
SMILESCc1cc(NC(=O)C(C)C)ncc1NC(=O)Cc1ccccc1
InChIInChI=1S/C18H21N3O2/c1-12(2)18(23)21-16-9-13(3)15(11-19-16)20-17(22)10-14-7-5-4-6-8-14/h4-9,11-12H,10H2,1-3H3,(H,20,22)(H,19,21,23)
InChIKeyQWBLWMVHIOYAJB-UHFFFAOYSA-N
XLogP3.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide?
The IUPAC name of 2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide (CID 656326) is 2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide is Cc1cc(NC(=O)C(C)C)ncc1NC(=O)Cc1ccccc1.
What is the InChIKey of 2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide?
The InChIKey is QWBLWMVHIOYAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(2)18(23)21-16-9-13(3)15(11-19-16)20-17(22)10-14-7-5-4-6-8-14/h4-9,11-12H,10H2,1-3H3,(H,20,22)(H,19,21,23).
What are the key properties of 2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide?
2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide has a molecular weight of 311.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-methyl-5-[(2-phenylacetyl)amino]-2-pyridinyl]propanamide is sourced from PubChem (CID 656326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).