5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide

C20H22N6O3 — CID 174500838

IUPAC5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESCCCCc1c(C(N)=O)nn(-c2cccnc2)c1-c1ccc(OCC(N)=O)cn1
InChIInChI=1S/C20H22N6O3/c1-2-3-6-15-18(20(22)28)25-26(13-5-4-9-23-10-13)19(15)16-8-7-14(11-24-16)29-12-17(21)27/h4-5,7-11H,2-3,6,12H2,1H3,(H2,21,27)(H2,22,28)
InChIKeyYCLWVANVRWFSFY-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.63
Rot. Bonds9

About 5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide

5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 174500838) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID174500838
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESCCCCc1c(C(N)=O)nn(-c2cccnc2)c1-c1ccc(OCC(N)=O)cn1
InChIInChI=1S/C20H22N6O3/c1-2-3-6-15-18(20(22)28)25-26(13-5-4-9-23-10-13)19(15)16-8-7-14(11-24-16)29-12-17(21)27/h4-5,7-11H,2-3,6,12H2,1H3,(H2,21,27)(H2,22,28)
InChIKeyYCLWVANVRWFSFY-UHFFFAOYSA-N
XLogP1.63
TPSA139.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide
CID 175246277
3-[5-(5-ethoxy-2-pyridinyl)-4-pyridin-3-yl-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 146282455
2-(4-butoxyphenoxy)acetamide
CID 22974475
ethyl 5-(5-methylpyrazin-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylate
CID 23143622
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
3-butyl-1-pyridin-3-ylpyrazol-5-amine
CID 174520320
ethyl 3,5-dimethyl-1-pyridin-3-ylpyrazole-4-carboxylate
CID 171564003
ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate
CID 42647388
2-(4-nonylphenoxy)acetamide
CID 54388059
ethyl 2-[(2-pyridin-3-yloxyacetyl)amino]acetate
CID 110487847
N-[4-(carbamoylamino)butyl]-5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxamide
CID 71205995
2-[[6-(2-aminopropyl)-3-pyridinyl]oxy]acetamide
CID 79800080

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of 5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide (CID 174500838) is 5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide is CCCCc1c(C(N)=O)nn(-c2cccnc2)c1-c1ccc(OCC(N)=O)cn1.
What is the InChIKey of 5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is YCLWVANVRWFSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-2-3-6-15-18(20(22)28)25-26(13-5-4-9-23-10-13)19(15)16-8-7-14(11-24-16)29-12-17(21)27/h4-5,7-11H,2-3,6,12H2,1H3,(H2,21,27)(H2,22,28).
What are the key properties of 5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide?
5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 174500838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).