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

C23H26N6O4 — CID 86267636

IUPACN-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide
SMILESCc1nc(NC(=O)NC(=O)CC2CCOCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H26N6O4/c1-15-20(33-18-5-8-24-19(12-18)17-13-25-29(2)14-17)3-4-21(26-15)27-23(31)28-22(30)11-16-6-9-32-10-7-16/h3-5,8,12-14,16H,6-7,9-11H2,1-2H3,(H2,26,27,28,30,31)
InChIKeyGFIAEVSQQPXMCV-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.44
Rot. Bonds6

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

N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide (PubChem CID 86267636) has the molecular formula C23H26N6O4 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide
PubChem CID86267636
Molecular FormulaC23H26N6O4
Molecular Weight450.50 g/mol
Exact Mass450.20
IUPAC NameN-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide
SMILESCc1nc(NC(=O)NC(=O)CC2CCOCC2)ccc1Oc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C23H26N6O4/c1-15-20(33-18-5-8-24-19(12-18)17-13-25-29(2)14-17)3-4-21(26-15)27-23(31)28-22(30)11-16-6-9-32-10-7-16/h3-5,8,12-14,16H,6-7,9-11H2,1-2H3,(H2,26,27,28,30,31)
InChIKeyGFIAEVSQQPXMCV-UHFFFAOYSA-N
XLogP3.44
TPSA120.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
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 N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide (CID 86267636) is N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide is Cc1nc(NC(=O)NC(=O)CC2CCOCC2)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]-2-(oxan-4-yl)acetamide?
The InChIKey is GFIAEVSQQPXMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4/c1-15-20(33-18-5-8-24-19(12-18)17-13-25-29(2)14-17)3-4-21(26-15)27-23(31)28-22(30)11-16-6-9-32-10-7-16/h3-5,8,12-14,16H,6-7,9-11H2,1-2H3,(H2,26,27,28,30,31).
What are the key properties of N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide?
N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide has a molecular weight of 450.50 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 8 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]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 86267636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).