6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide

C21H19N7O3 — CID 159854481

IUPAC6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)c4ccc(N)n(C)c4=O)nc3)ccn2)cn1
InChIInChI=1S/C21H19N7O3/c1-27-12-13(10-25-27)17-9-14(7-8-23-17)31-15-3-6-19(24-11-15)26-20(29)16-4-5-18(22)28(2)21(16)30/h3-12H,22H2,1-2H3,(H,24,26,29)
InChIKeyNQISTVOZRRYOSM-UHFFFAOYSA-N
MW417.43 g/mol
LogP2.20
Rot. Bonds5

About 6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide

6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide (PubChem CID 159854481) has the molecular formula C21H19N7O3 and a molecular weight of 417.43 g/mol. Its IUPAC name is 6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide
PubChem CID159854481
Molecular FormulaC21H19N7O3
Molecular Weight417.43 g/mol
Exact Mass417.15
IUPAC Name6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide
SMILESCn1cc(-c2cc(Oc3ccc(NC(=O)c4ccc(N)n(C)c4=O)nc3)ccn2)cn1
InChIInChI=1S/C21H19N7O3/c1-27-12-13(10-25-27)17-9-14(7-8-23-17)31-15-3-6-19(24-11-15)26-20(29)16-4-5-18(22)28(2)21(16)30/h3-12H,22H2,1-2H3,(H,24,26,29)
InChIKeyNQISTVOZRRYOSM-UHFFFAOYSA-N
XLogP2.20
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide (CID 159854481) is 6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide is Cn1cc(-c2cc(Oc3ccc(NC(=O)c4ccc(N)n(C)c4=O)nc3)ccn2)cn1.
What is the InChIKey of 6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide?
The InChIKey is NQISTVOZRRYOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O3/c1-27-12-13(10-25-27)17-9-14(7-8-23-17)31-15-3-6-19(24-11-15)26-20(29)16-4-5-18(22)28(2)21(16)30/h3-12H,22H2,1-2H3,(H,24,26,29).
What are the key properties of 6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide?
6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 159854481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).