2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

C20H22N6O3 — CID 86268065

IUPAC2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3)ccn2)cn1
InChIInChI=1S/C20H22N6O3/c1-20(2,3)18(27)25-19(28)24-17-6-5-15(11-22-17)29-14-7-8-21-16(9-14)13-10-23-26(4)12-13/h5-12H,1-4H3,(H2,22,24,25,27,28)
InChIKeyMKDGTXKQCIZABO-UHFFFAOYSA-N
MW394.44 g/mol
LogP3.36
Rot. Bonds4

About 2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide

2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (PubChem CID 86268065) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
PubChem CID86268065
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC Name2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3)ccn2)cn1
InChIInChI=1S/C20H22N6O3/c1-20(2,3)18(27)25-19(28)24-17-6-5-15(11-22-17)29-14-7-8-21-16(9-14)13-10-23-26(4)12-13/h5-12H,1-4H3,(H2,22,24,25,27,28)
InChIKeyMKDGTXKQCIZABO-UHFFFAOYSA-N
XLogP3.36
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide with MolForge

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Related Compounds

2,2-dimethyl-N-[[5-[[2-(6-methyl-3-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 86269282
2-hydroxy-2-methyl-N-[[5-[[2-(2-methyl-4-pyridinyl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide
CID 163864450
3-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide
CID 86268217
6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide
CID 159854481
1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide
CID 166780718
8-acetyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 146267954
2-cyclopropyl-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-6-oxopyrimidine-5-carboxamide
CID 166780701
4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 86275147
N-[4-[[6-(2,2-dimethylpropanoylcarbamoylamino)-3-pyridinyl]oxy]-2-pyridinyl]-4-ethylpiperazine-1-carboxamide
CID 86275152
3-(4-fluorophenyl)-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxoimidazolidine-1-carboxamide
CID 90446506
N-[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]acetamide
CID 90403222
N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-1,7-dioxo-2-azaspiro[4.5]decane-2-carboxamide
CID 146268035

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide (CID 86268065) is 2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is Cn1cc(-c2cc(Oc3ccc(NC(=O)NC(=O)C(C)(C)C)nc3)ccn2)cn1.
What is the InChIKey of 2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
The InChIKey is MKDGTXKQCIZABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-20(2,3)18(27)25-19(28)24-17-6-5-15(11-22-17)29-14-7-8-21-16(9-14)13-10-23-26(4)12-13/h5-12H,1-4H3,(H2,22,24,25,27,28).
What are the key properties of 2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide?
2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide has a molecular weight of 394.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]propanamide is sourced from PubChem (CID 86268065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).