1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol

C23H30N2O6 — CID 157148379

IUPAC1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol
SMILESCOc1cnc(C(C)=O)cc1OCC1CC1.COc1cnc(CO)cc1OCC1CC1
InChIInChI=1S/C12H15NO3.C11H15NO3/c1-8(14)10-5-11(12(15-2)6-13-10)16-7-9-3-4-9;1-14-11-5-12-9(6-13)4-10(11)15-7-8-2-3-8/h5-6,9H,3-4,7H2,1-2H3;4-5,8,13H,2-3,6-7H2,1H3
InChIKeyAKYXDGBOQGGRGJ-UHFFFAOYSA-N
MW430.50 g/mol
LogP3.45
Rot. Bonds10

About 1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol

1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol (PubChem CID 157148379) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol.

Molecular Properties

Compound Name1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol
PubChem CID157148379
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Name1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol
SMILESCOc1cnc(C(C)=O)cc1OCC1CC1.COc1cnc(CO)cc1OCC1CC1
InChIInChI=1S/C12H15NO3.C11H15NO3/c1-8(14)10-5-11(12(15-2)6-13-10)16-7-9-3-4-9;1-14-11-5-12-9(6-13)4-10(11)15-7-8-2-3-8/h5-6,9H,3-4,7H2,1-2H3;4-5,8,13H,2-3,6-7H2,1H3
InChIKeyAKYXDGBOQGGRGJ-UHFFFAOYSA-N
XLogP3.45
TPSA100.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-chlorooxy-4-[[4-(cyclopropylmethoxy)-5-methoxypyridine-2-carbonyl]amino]-3-pyridinyl] hypochlorite
CID 67235250
4-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-1-ium-4-yl)-5-methoxypyridine-2-carboxamide
CID 144634893
tetracesium;bromomethylcyclopropane;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol;hydride;bis(2-(hydroxymethyl)-5-methoxypyridin-4-olate);2-(hydroxymethyl)-5-methoxy-1H-pyridin-4-one;oxido formate
CID 159792807
1-(5-bromo-4-methoxy-2-pyridinyl)ethanone
CID 84693223
2-amino-4-(cyclopropylmethoxy)-5-methoxybenzoic acid
CID 84798459
1-[2-bromo-4-(cyclopropylmethoxy)-5-methoxyphenyl]propan-2-one
CID 117498472
5-(2-cyclopropylethoxy)-4-methoxypyridine-2-carboxylic acid
CID 138674847
[5-(cyclopropylmethoxy)pyrazin-2-yl]methanol
CID 107373161
3-(cyclopropylmethoxy)-4-methoxypyridine
CID 150318193
[5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)-2-pyridinyl]methanol
CID 54167538
1-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethanone
CID 117314118
[5-(cyclopropylmethoxy)-4-methoxy-2-pyridinyl]-[4-[4-methoxy-6-(methylamino)-3-pyridinyl]piperidin-1-yl]methanone
CID 176715559

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol?
The IUPAC name of 1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol (CID 157148379) is 1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol.
What is the SMILES notation for 1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol?
The canonical SMILES for 1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol is COc1cnc(C(C)=O)cc1OCC1CC1.COc1cnc(CO)cc1OCC1CC1.
What is the InChIKey of 1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol?
The InChIKey is AKYXDGBOQGGRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3.C11H15NO3/c1-8(14)10-5-11(12(15-2)6-13-10)16-7-9-3-4-9;1-14-11-5-12-9(6-13)4-10(11)15-7-8-2-3-8/h5-6,9H,3-4,7H2,1-2H3;4-5,8,13H,2-3,6-7H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol?
1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol has a molecular weight of 430.50 g/mol, XLogP of 3.45, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]ethanone;[4-(cyclopropylmethoxy)-5-methoxy-2-pyridinyl]methanol is sourced from PubChem (CID 157148379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).