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

C23H26N6O4 — CID 86270077

IUPAC4-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide
SMILESCc1nc(NC(=O)NC(=O)C2(C)CCOCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H26N6O4/c1-15-19(33-17-6-9-24-18(12-17)16-13-25-29(3)14-16)4-5-20(26-15)27-22(31)28-21(30)23(2)7-10-32-11-8-23/h4-6,9,12-14H,7-8,10-11H2,1-3H3,(H2,26,27,28,30,31)
InChIKeyCIQLUWGXRPQJFF-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.44
Rot. Bonds5

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

4-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide (PubChem CID 86270077) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is 4-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide
PubChem CID86270077
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC Name4-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide
SMILESCc1nc(NC(=O)NC(=O)C2(C)CCOCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H26N6O4/c1-15-19(33-17-6-9-24-18(12-17)16-13-25-29(3)14-16)4-5-20(26-15)27-22(31)28-21(30)23(2)7-10-32-11-8-23/h4-6,9,12-14H,7-8,10-11H2,1-3H3,(H2,26,27,28,30,31)
InChIKeyCIQLUWGXRPQJFF-UHFFFAOYSA-N
XLogP3.44
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide?
The IUPAC name of 4-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide (CID 86270077) is 4-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide.
What is the SMILES notation for 4-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide?
The canonical SMILES for 4-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide is Cc1nc(NC(=O)NC(=O)C2(C)CCOCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of 4-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide?
The InChIKey is CIQLUWGXRPQJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-15-19(33-17-6-9-24-18(12-17)16-13-25-29(3)14-16)4-5-20(26-15)27-22(31)28-21(30)23(2)7-10-32-11-8-23/h4-6,9,12-14H,7-8,10-11H2,1-3H3,(H2,26,27,28,30,31).
What are the key properties of 4-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide?
4-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]oxane-4-carboxamide is sourced from PubChem (CID 86270077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).