N-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide

C18H21N3O2 — CID 647472

IUPACN-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide
SMILESCCC(=O)Nc1cc(C)c(NC(=O)CCc2ccccc2)cn1
InChIInChI=1S/C18H21N3O2/c1-3-17(22)21-16-11-13(2)15(12-19-16)20-18(23)10-9-14-7-5-4-6-8-14/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyCGFBOHAYEGSONR-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.31
Rot. Bonds6

About N-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide

N-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide (PubChem CID 647472) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide
PubChem CID647472
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide
SMILESCCC(=O)Nc1cc(C)c(NC(=O)CCc2ccccc2)cn1
InChIInChI=1S/C18H21N3O2/c1-3-17(22)21-16-11-13(2)15(12-19-16)20-18(23)10-9-14-7-5-4-6-8-14/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,23)(H,19,21,22)
InChIKeyCGFBOHAYEGSONR-UHFFFAOYSA-N
XLogP3.31
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide?
The IUPAC name of N-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide (CID 647472) is N-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide is CCC(=O)Nc1cc(C)c(NC(=O)CCc2ccccc2)cn1.
What is the InChIKey of N-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide?
The InChIKey is CGFBOHAYEGSONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-3-17(22)21-16-11-13(2)15(12-19-16)20-18(23)10-9-14-7-5-4-6-8-14/h4-8,11-12H,3,9-10H2,1-2H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide?
N-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide has a molecular weight of 311.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-6-(propanoylamino)-3-pyridinyl]-3-phenylpropanamide is sourced from PubChem (CID 647472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).