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

C19H20N6O4 — CID 154190773

IUPACN-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
SMILESCON(C(C)=O)C(=O)Nc1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1
InChIInChI=1S/C19H20N6O4/c1-12-17(5-6-18(22-12)23-19(27)25(28-4)13(2)26)29-15-7-8-20-16(9-15)14-10-21-24(3)11-14/h5-11H,1-4H3,(H,22,23,27)
InChIKeyOWZMXLCVFQDCNO-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.92
Rot. Bonds5

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

N-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide (PubChem CID 154190773) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide.

Molecular Properties

Compound NameN-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
PubChem CID154190773
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC NameN-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide
SMILESCON(C(C)=O)C(=O)Nc1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1
InChIInChI=1S/C19H20N6O4/c1-12-17(5-6-18(22-12)23-19(27)25(28-4)13(2)26)29-15-7-8-20-16(9-15)14-10-21-24(3)11-14/h5-11H,1-4H3,(H,22,23,27)
InChIKeyOWZMXLCVFQDCNO-UHFFFAOYSA-N
XLogP2.92
TPSA111.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide?
The IUPAC name of N-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide (CID 154190773) is N-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide.
What is the SMILES notation for N-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide?
The canonical SMILES for N-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide is CON(C(C)=O)C(=O)Nc1ccc(Oc2ccnc(-c3cnn(C)c3)c2)c(C)n1.
What is the InChIKey of N-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide?
The InChIKey is OWZMXLCVFQDCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c1-12-17(5-6-18(22-12)23-19(27)25(28-4)13(2)26)29-15-7-8-20-16(9-15)14-10-21-24(3)11-14/h5-11H,1-4H3,(H,22,23,27).
What are the key properties of N-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide?
N-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide has a molecular weight of 396.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-[[6-methyl-5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]acetamide is sourced from PubChem (CID 154190773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).