methyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate

C19H22N2O5 — CID 167037611

IUPACmethyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate
SMILESCCC(=O)N(Cc1ccc(OC)cc1)c1cc(OC)cnc1C(=O)OC
InChIInChI=1S/C19H22N2O5/c1-5-17(22)21(12-13-6-8-14(24-2)9-7-13)16-10-15(25-3)11-20-18(16)19(23)26-4/h6-11H,5,12H2,1-4H3
InChIKeyUVSVUARDOGSZPM-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.83
Rot. Bonds7

About methyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate

methyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate (PubChem CID 167037611) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate
PubChem CID167037611
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namemethyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate
SMILESCCC(=O)N(Cc1ccc(OC)cc1)c1cc(OC)cnc1C(=O)OC
InChIInChI=1S/C19H22N2O5/c1-5-17(22)21(12-13-6-8-14(24-2)9-7-13)16-10-15(25-3)11-20-18(16)19(23)26-4/h6-11H,5,12H2,1-4H3
InChIKeyUVSVUARDOGSZPM-UHFFFAOYSA-N
XLogP2.83
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide
CID 46045773
methyl 3-[bis[(4-methoxyphenyl)methyl]amino]-5,6,7,8-tetrahydroquinoxaline-2-carboxylate
CID 176803994
(2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid
CID 143610345
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
N-benzyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 52893645
ethyl N-[4-amino-2-[ethyl-[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]carbamate
CID 110180031
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46045989
methyl 2-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-6-methylpyridine-4-carboxylate
CID 135153900
(2S)-N-[(2R)-butan-2-yl]-2-[(4-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100624094
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid
CID 2310232
1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
CID 67294293
[4-(bromomethyl)-2-pyridinyl]-[(4-methoxyphenyl)methyl]carbamic acid
CID 118294574

Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate (CID 167037611) is methyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate is CCC(=O)N(Cc1ccc(OC)cc1)c1cc(OC)cnc1C(=O)OC.
What is the InChIKey of methyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate?
The InChIKey is UVSVUARDOGSZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-5-17(22)21(12-13-6-8-14(24-2)9-7-13)16-10-15(25-3)11-20-18(16)19(23)26-4/h6-11H,5,12H2,1-4H3.
What are the key properties of methyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate?
methyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-3-[(4-methoxyphenyl)methyl-propanoylamino]pyridine-2-carboxylate is sourced from PubChem (CID 167037611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).