benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate

C16H16N2O4 — CID 27020385

IUPACbenzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCc2ccccc2)cn1
InChIInChI=1S/C16H16N2O4/c1-21-14-8-7-13(9-17-14)16(20)18-10-15(19)22-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeySMBTXIGKRZSCPX-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.56
Rot. Bonds6

About benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate

benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate (PubChem CID 27020385) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate
PubChem CID27020385
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namebenzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCc2ccccc2)cn1
InChIInChI=1S/C16H16N2O4/c1-21-14-8-7-13(9-17-14)16(20)18-10-15(19)22-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,20)
InChIKeySMBTXIGKRZSCPX-UHFFFAOYSA-N
XLogP1.56
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl 2-[(3,5-dimethoxybenzoyl)amino]acetate
CID 24643690
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
benzyl 2-[(3-fluoro-4-methylbenzoyl)amino]acetate
CID 27711366
N-[[3-(hydroxymethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 63310970
benzyl 2-[[5-(3-dodecoxypropylcarbamoyl)-3-methoxypyridine-2-carbonyl]amino]acetate
CID 11857273
N-[2-(2-ethylanilino)-2-oxoethyl]-6-methoxypyridine-3-carboxamide
CID 24531875
6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 33253802
benzyl 2-[[4-(trifluoromethoxy)benzoyl]amino]acetate
CID 27898594
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate
CID 29209753
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate?
The IUPAC name of benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate (CID 27020385) is benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate?
The canonical SMILES for benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCc2ccccc2)cn1.
What is the InChIKey of benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate?
The InChIKey is SMBTXIGKRZSCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-14-8-7-13(9-17-14)16(20)18-10-15(19)22-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,20).
What are the key properties of benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate?
benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate has a molecular weight of 300.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 27020385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).