4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid

C13H18N2O4 — CID 75446980

IUPAC4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCCOc1ncccc1C(=O)NCC(C)CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-19-13-10(5-4-6-14-13)12(18)15-8-9(2)7-11(16)17/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQRNUBXMWFMFXRQ-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.32
Rot. Bonds7

About 4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid

4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 75446980) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid
PubChem CID75446980
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid
SMILESCCOc1ncccc1C(=O)NCC(C)CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-19-13-10(5-4-6-14-13)12(18)15-8-9(2)7-11(16)17/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQRNUBXMWFMFXRQ-UHFFFAOYSA-N
XLogP1.32
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid
CID 119221242
2-ethoxy-N-[(2R)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]pyridine-3-carboxamide
CID 99873612
methyl 2-[(2-ethoxypyridine-3-carbonyl)amino]acetate
CID 27682250
2-methoxy-N-[(2R)-2-(N-methylanilino)propyl]pyridine-3-carboxamide
CID 51725711
N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 111447628
3-[(2-methoxypyridine-3-carbonyl)amino]butanoic acid
CID 43360879
2-ethoxy-N-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 134005816
2-ethoxy-N-[1-(4-ethylphenyl)-2-methylpropyl]pyridine-3-carboxamide
CID 18289216
2-ethoxy-N-[(2S)-1-morpholin-4-ylpropan-2-yl]pyridine-3-carboxamide
CID 94866907
4-[4-[[(2-ethoxypyridine-3-carbonyl)amino]methyl]phenoxy]butanoic acid
CID 119247313
2-amino-N-(2-methylbutyl)pyridine-3-carboxamide
CID 62692946
2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 166385426

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid (CID 75446980) is 4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid is CCOc1ncccc1C(=O)NCC(C)CC(=O)O.
What is the InChIKey of 4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is QRNUBXMWFMFXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-19-13-10(5-4-6-14-13)12(18)15-8-9(2)7-11(16)17/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid?
4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxypyridine-3-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 75446980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).