5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate

C11H13N2O3- — CID 5059391

IUPAC5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate
SMILESCc1cccnc1NC(=O)CCCC(=O)[O-]
InChIInChI=1S/C11H14N2O3/c1-8-4-3-7-12-11(8)13-9(14)5-2-6-10(15)16/h3-4,7H,2,5-6H2,1H3,(H,15,16)(H,12,13,14)/p-1
InChIKeyPJICBMYEQGWUIH-UHFFFAOYSA-M
MW221.24 g/mol
LogP0.25
Rot. Bonds5

About 5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate

5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate (PubChem CID 5059391) has the molecular formula C11H13N2O3- and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate.

Molecular Properties

Compound Name5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate
PubChem CID5059391
Molecular FormulaC11H13N2O3-
Molecular Weight221.24 g/mol
Exact Mass221.09
IUPAC Name5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate
SMILESCc1cccnc1NC(=O)CCCC(=O)[O-]
InChIInChI=1S/C11H14N2O3/c1-8-4-3-7-12-11(8)13-9(14)5-2-6-10(15)16/h3-4,7H,2,5-6H2,1H3,(H,15,16)(H,12,13,14)/p-1
InChIKeyPJICBMYEQGWUIH-UHFFFAOYSA-M
XLogP0.25
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
CID 107907296
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 35032384
N-(3-methyl-2-pyridinyl)-4-(4-methylsulfonylphenoxy)butanamide
CID 51096727
N-(3-methyl-2-pyridinyl)-4-(2-phenylethoxy)butanamide
CID 52668967
4-(2,5-dimethylthiophen-3-yl)-N-(3-methyl-2-pyridinyl)-4-oxobutanamide
CID 18107073
4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 18107028
3-(2-fluorophenyl)-N-(3-methyl-2-pyridinyl)propanamide
CID 25342955
2-(2-hydroxyphenyl)-N-(3-methyl-2-pyridinyl)acetamide
CID 60615989
2-anilino-N-(3-methyl-2-pyridinyl)acetamide
CID 60860277
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 4175653

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate?
The IUPAC name of 5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate (CID 5059391) is 5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate.
What is the SMILES notation for 5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate?
The canonical SMILES for 5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate is Cc1cccnc1NC(=O)CCCC(=O)[O-].
What is the InChIKey of 5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate?
The InChIKey is PJICBMYEQGWUIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N2O3/c1-8-4-3-7-12-11(8)13-9(14)5-2-6-10(15)16/h3-4,7H,2,5-6H2,1H3,(H,15,16)(H,12,13,14)/p-1.
What are the key properties of 5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate?
5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate has a molecular weight of 221.24 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate is sourced from PubChem (CID 5059391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).