4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide

C18H19N5O3 — CID 122274506

IUPAC4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1cc(=O)n(C)cc1C(=O)NCc1ccc(-c2cnn(C)c2)nc1
InChIInChI=1S/C18H19N5O3/c1-22-11-14(16(26-3)6-17(22)24)18(25)20-8-12-4-5-15(19-7-12)13-9-21-23(2)10-13/h4-7,9-11H,8H2,1-3H3,(H,20,25)
InChIKeyACPFNEBQDJZYEY-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.12
Rot. Bonds5

About 4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide

4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide (PubChem CID 122274506) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide
PubChem CID122274506
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide
SMILESCOc1cc(=O)n(C)cc1C(=O)NCc1ccc(-c2cnn(C)c2)nc1
InChIInChI=1S/C18H19N5O3/c1-22-11-14(16(26-3)6-17(22)24)18(25)20-8-12-4-5-15(19-7-12)13-9-21-23(2)10-13/h4-7,9-11H,8H2,1-3H3,(H,20,25)
InChIKeyACPFNEBQDJZYEY-UHFFFAOYSA-N
XLogP1.12
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide (CID 122274506) is 4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide is COc1cc(=O)n(C)cc1C(=O)NCc1ccc(-c2cnn(C)c2)nc1.
What is the InChIKey of 4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is ACPFNEBQDJZYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-22-11-14(16(26-3)6-17(22)24)18(25)20-8-12-4-5-15(19-7-12)13-9-21-23(2)10-13/h4-7,9-11H,8H2,1-3H3,(H,20,25).
What are the key properties of 4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide?
4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 122274506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).