3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C18H24N4O2 — CID 95820786

IUPAC3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(CCC(=O)Nc2cc(C)on2)cc([C@@H]2CCCN2C)n1
InChIInChI=1S/C18H24N4O2/c1-12-9-14(11-15(19-12)16-5-4-8-22(16)3)6-7-18(23)20-17-10-13(2)24-21-17/h9-11,16H,4-8H2,1-3H3,(H,20,21,23)/t16-/m0/s1
InChIKeyJVBSCYVVGXSQML-INIZCTEOSA-N
MW328.42 g/mol
LogP3.02
Rot. Bonds5

About 3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 95820786) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID95820786
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(CCC(=O)Nc2cc(C)on2)cc([C@@H]2CCCN2C)n1
InChIInChI=1S/C18H24N4O2/c1-12-9-14(11-15(19-12)16-5-4-8-22(16)3)6-7-18(23)20-17-10-13(2)24-21-17/h9-11,16H,4-8H2,1-3H3,(H,20,21,23)/t16-/m0/s1
InChIKeyJVBSCYVVGXSQML-INIZCTEOSA-N
XLogP3.02
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[2-methyl-6-[(2R)-1-methylpyrrolidin-2-yl]-4-pyridinyl]propanoylamino]acetic acid
CID 95827134
3-[2-methyl-6-(1-propan-2-ylpyrrolidin-2-yl)-4-pyridinyl]-N-(1H-pyrazol-4-yl)propanamide
CID 110258138
N-methyl-3-[2-methyl-6-[1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanamide
CID 110255752
3-[2-(1-acetylpyrrolidin-2-yl)-6-methyl-4-pyridinyl]propanoic acid
CID 66510103
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 95569827
3-[(3R)-3-aminopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 102977266
N-(5-methyl-1,2-oxazol-3-yl)-3-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]propanamide
CID 47011082
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2R)-2-methylpiperidin-1-yl]propanamide
CID 39912480
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 91839248
3-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51471448
1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441827
2-[2-(hydroxymethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60684790

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 95820786) is 3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(CCC(=O)Nc2cc(C)on2)cc([C@@H]2CCCN2C)n1.
What is the InChIKey of 3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is JVBSCYVVGXSQML-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-9-14(11-15(19-12)16-5-4-8-22(16)3)6-7-18(23)20-17-10-13(2)24-21-17/h9-11,16H,4-8H2,1-3H3,(H,20,21,23)/t16-/m0/s1.
What are the key properties of 3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-6-[(2S)-1-methylpyrrolidin-2-yl]-4-pyridinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 95820786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).