N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide

C21H22N6O3 — CID 86267847

IUPACN-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide
SMILESCc1nc(NC(=O)NC(=O)C2CCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C21H22N6O3/c1-13-18(30-16-8-9-22-17(10-16)15-11-23-27(2)12-15)6-7-19(24-13)25-21(29)26-20(28)14-4-3-5-14/h6-12,14H,3-5H2,1-2H3,(H2,24,25,26,28,29)
InChIKeyUSQDNKJTXHBZRC-UHFFFAOYSA-N
MW406.45 g/mol
LogP3.43
Rot. Bonds5

About N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide

N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide (PubChem CID 86267847) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide
PubChem CID86267847
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC NameN-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide
SMILESCc1nc(NC(=O)NC(=O)C2CCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C21H22N6O3/c1-13-18(30-16-8-9-22-17(10-16)15-11-23-27(2)12-15)6-7-19(24-13)25-21(29)26-20(28)14-4-3-5-14/h6-12,14H,3-5H2,1-2H3,(H2,24,25,26,28,29)
InChIKeyUSQDNKJTXHBZRC-UHFFFAOYSA-N
XLogP3.43
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide?
The IUPAC name of N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide (CID 86267847) is N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide is Cc1nc(NC(=O)NC(=O)C2CCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide?
The InChIKey is USQDNKJTXHBZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-13-18(30-16-8-9-22-17(10-16)15-11-23-27(2)12-15)6-7-19(24-13)25-21(29)26-20(28)14-4-3-5-14/h6-12,14H,3-5H2,1-2H3,(H2,24,25,26,28,29).
What are the key properties of N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide?
N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide has a molecular weight of 406.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]cyclobutanecarboxamide is sourced from PubChem (CID 86267847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).