[2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate

C14H21N3O3 — CID 61490232

IUPAC[2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate
SMILESCCC(CC)NC(=O)COC(=O)c1cc(N)cnc1C
InChIInChI=1S/C14H21N3O3/c1-4-11(5-2)17-13(18)8-20-14(19)12-6-10(15)7-16-9(12)3/h6-7,11H,4-5,8,15H2,1-3H3,(H,17,18)
InChIKeyJCAJDAPQKLRJAE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.43
Rot. Bonds6

About [2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate

[2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate (PubChem CID 61490232) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is [2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate
PubChem CID61490232
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name[2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate
SMILESCCC(CC)NC(=O)COC(=O)c1cc(N)cnc1C
InChIInChI=1S/C14H21N3O3/c1-4-11(5-2)17-13(18)8-20-14(19)12-6-10(15)7-16-9(12)3/h6-7,11H,4-5,8,15H2,1-3H3,(H,17,18)
InChIKeyJCAJDAPQKLRJAE-UHFFFAOYSA-N
XLogP1.43
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate with MolForge

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Related Compounds

2-ethylbutyl 5-amino-2-methylpyridine-3-carboxylate
CID 82930895
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide
CID 93467826
[2-oxo-2-(pentan-3-ylamino)ethyl] 3,5-diaminobenzoate
CID 61490108
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-5-methylbenzoate
CID 7771336
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-amino-2-methylbenzoate
CID 61490234
5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 61040311
5-amino-2-[2-oxo-2-(pentan-3-ylamino)ethoxy]benzamide
CID 106956198
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-amino-5-methoxybenzoate
CID 81095128
(1-amino-1-oxopropan-2-yl) 5-amino-2-methylpyridine-3-carboxylate
CID 61321689
2-(5-amino-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 54957007
5-amino-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 54917009
[2-oxo-2-(pentan-3-ylamino)ethyl] 3-amino-5-fluoro-4-methylbenzoate
CID 61489712

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate (CID 61490232) is [2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate is CCC(CC)NC(=O)COC(=O)c1cc(N)cnc1C.
What is the InChIKey of [2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate?
The InChIKey is JCAJDAPQKLRJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-11(5-2)17-13(18)8-20-14(19)12-6-10(15)7-16-9(12)3/h6-7,11H,4-5,8,15H2,1-3H3,(H,17,18).
What are the key properties of [2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate?
[2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-3-ylamino)ethyl] 5-amino-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 61490232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).