propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate

C15H23N3O3 — CID 56807220

IUPACpropan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate
SMILESCc1cccc(NC(=O)CN(C)CCC(=O)OC(C)C)n1
InChIInChI=1S/C15H23N3O3/c1-11(2)21-15(20)8-9-18(4)10-14(19)17-13-7-5-6-12(3)16-13/h5-7,11H,8-10H2,1-4H3,(H,16,17,19)
InChIKeyMVDSFGYJIAONNU-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.60
Rot. Bonds7

About propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate

propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate (PubChem CID 56807220) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate
PubChem CID56807220
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namepropan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate
SMILESCc1cccc(NC(=O)CN(C)CCC(=O)OC(C)C)n1
InChIInChI=1S/C15H23N3O3/c1-11(2)21-15(20)8-9-18(4)10-14(19)17-13-7-5-6-12(3)16-13/h5-7,11H,8-10H2,1-4H3,(H,16,17,19)
InChIKeyMVDSFGYJIAONNU-UHFFFAOYSA-N
XLogP1.60
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
CID 95157777
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
(2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide
CID 95186985
N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide
CID 56803962
(2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
CID 95158936
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
5-amino-N-(6-methyl-2-pyridinyl)hexanamide
CID 82849039
ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 60704458
N-[(1S,2R)-2-methylcyclohexyl]-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]acetamide
CID 100900329
N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide
CID 75506600
2-[(1-hydroxy-4-methylcyclohexyl)methyl-methylamino]-N-(6-methyl-2-pyridinyl)acetamide
CID 111461807
2-ethyl-N-(6-methyl-2-pyridinyl)butanamide
CID 5060766

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate?
The IUPAC name of propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate (CID 56807220) is propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate?
The canonical SMILES for propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate is Cc1cccc(NC(=O)CN(C)CCC(=O)OC(C)C)n1.
What is the InChIKey of propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate?
The InChIKey is MVDSFGYJIAONNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)21-15(20)8-9-18(4)10-14(19)17-13-7-5-6-12(3)16-13/h5-7,11H,8-10H2,1-4H3,(H,16,17,19).
What are the key properties of propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate?
propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate has a molecular weight of 293.37 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 56807220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).