1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one

C19H20N4O3 — CID 127736362

IUPAC1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESO=C1CN(C(=O)c2ccnc(OC3CCCCC3)c2)c2ccncc2N1
InChIInChI=1S/C19H20N4O3/c24-17-12-23(16-7-8-20-11-15(16)22-17)19(25)13-6-9-21-18(10-13)26-14-4-2-1-3-5-14/h6-11,14H,1-5,12H2,(H,22,24)
InChIKeyUBEWAKKOPSTTQY-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.79
Rot. Bonds3

About 1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one

1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one (PubChem CID 127736362) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
PubChem CID127736362
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one
SMILESO=C1CN(C(=O)c2ccnc(OC3CCCCC3)c2)c2ccncc2N1
InChIInChI=1S/C19H20N4O3/c24-17-12-23(16-7-8-20-11-15(16)22-17)19(25)13-6-9-21-18(10-13)26-14-4-2-1-3-5-14/h6-11,14H,1-5,12H2,(H,22,24)
InChIKeyUBEWAKKOPSTTQY-UHFFFAOYSA-N
XLogP2.79
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528150
1-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]-2,4-dihydropyrido[3,4-b]pyrazin-3-one
CID 127361944
1-(2-cyclobutyloxypyridine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 120529143
1-(2-cyclohexyloxypyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 126790565
4-(2-methylpyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 106753524
(7R)-1-(2-cyclobutyloxypyridine-4-carbonyl)-7-phenyl-1,4-diazepan-5-one
CID 97065919
2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 91815462
(2-cyclohexyloxy-4-pyridinyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023950
(1S,6R,7R)-3-(2-cyclobutyloxypyridine-4-carbonyl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 167883339
(2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone
CID 126799880
(3aS,7aS)-2-(2-cyclobutyloxypyridine-4-carbonyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120628846
[(2R)-4-(2-cyclohexyloxypyridine-4-carbonyl)morpholin-2-yl]-cyclopropylmethanone
CID 99801024

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one (CID 127736362) is 1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one is O=C1CN(C(=O)c2ccnc(OC3CCCCC3)c2)c2ccncc2N1.
What is the InChIKey of 1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
The InChIKey is UBEWAKKOPSTTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c24-17-12-23(16-7-8-20-11-15(16)22-17)19(25)13-6-9-21-18(10-13)26-14-4-2-1-3-5-14/h6-11,14H,1-5,12H2,(H,22,24).
What are the key properties of 1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one?
1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one has a molecular weight of 352.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyloxypyridine-4-carbonyl)-2,4-dihydropyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 127736362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).