3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate

C18H28N2O4 — CID 142787418

IUPAC3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate
SMILESCCC(=O)OCCC(C)c1ccc(OC)nc1NC(=O)C(C)(C)C
InChIInChI=1S/C18H28N2O4/c1-7-15(21)24-11-10-12(2)13-8-9-14(23-6)19-16(13)20-17(22)18(3,4)5/h8-9,12H,7,10-11H2,1-6H3,(H,19,20,22)
InChIKeyUOBKPLKROSRSEW-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.52
Rot. Bonds7

About 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate

3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate (PubChem CID 142787418) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate.

Molecular Properties

Compound Name3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate
PubChem CID142787418
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate
SMILESCCC(=O)OCCC(C)c1ccc(OC)nc1NC(=O)C(C)(C)C
InChIInChI=1S/C18H28N2O4/c1-7-15(21)24-11-10-12(2)13-8-9-14(23-6)19-16(13)20-17(22)18(3,4)5/h8-9,12H,7,10-11H2,1-6H3,(H,19,20,22)
InChIKeyUOBKPLKROSRSEW-UHFFFAOYSA-N
XLogP3.52
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate with MolForge

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Related Compounds

ethyl 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]but-3-enoate
CID 58506916
ethyl 3-[(3-amino-6-methoxy-2-pyridinyl)amino]propanoate
CID 113286520
methyl 3-[6-chloro-2-(2,2-dimethylpropanoylamino)-3-pyridinyl]-3-hydroxy-2,2-dimethylpropanoate
CID 87825426
N-[3-(2-methoxypentyl)-6-(4-phenylmethoxybutoxy)-2-pyridinyl]-2,2-dimethylpropanamide
CID 69413999
tert-butyl N-(3-amino-6-ethoxy-2-pyridinyl)carbamate
CID 86767458
ethyl 2-[[2-(2,2-dimethoxyethylamino)-6-methoxy-3-pyridinyl]amino]acetate
CID 68811995
6-methoxy-2-N-propan-2-ylpyridine-2,3-diamine
CID 115320271
[(3R)-3-fluorobutyl] propanoate
CID 163735225
tert-butyl N-[3-[(3-amino-6-methoxy-2-pyridinyl)amino]-2-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
CID 68628541
2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide
CID 15274530
2-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106184124
3-amino-3-(6-methoxy-2-methyl-3-pyridinyl)propan-1-ol
CID 55269648

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate?
The IUPAC name of 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate (CID 142787418) is 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate.
What is the SMILES notation for 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate?
The canonical SMILES for 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate is CCC(=O)OCCC(C)c1ccc(OC)nc1NC(=O)C(C)(C)C.
What is the InChIKey of 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate?
The InChIKey is UOBKPLKROSRSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-7-15(21)24-11-10-12(2)13-8-9-14(23-6)19-16(13)20-17(22)18(3,4)5/h8-9,12H,7,10-11H2,1-6H3,(H,19,20,22).
What are the key properties of 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate?
3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate has a molecular weight of 336.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-dimethylpropanoylamino)-6-methoxy-3-pyridinyl]butyl propanoate is sourced from PubChem (CID 142787418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).