6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C18H20N8O3 — CID 54759836

IUPAC6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(COC)ccc2Nc2cncnc2)cnn1C
InChIInChI=1S/C18H20N8O3/c1-19-18(28)16-14(8-22-26(16)2)25-17(27)15-13(5-4-11(24-15)9-29-3)23-12-6-20-10-21-7-12/h4-8,10,23H,9H2,1-3H3,(H,19,28)(H,25,27)
InChIKeyGTIVDIALLKAYIU-UHFFFAOYSA-N
MW396.41 g/mol
LogP1.11
Rot. Bonds7

About 6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 54759836) has the molecular formula C18H20N8O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID54759836
Molecular FormulaC18H20N8O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC Name6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(COC)ccc2Nc2cncnc2)cnn1C
InChIInChI=1S/C18H20N8O3/c1-19-18(28)16-14(8-22-26(16)2)25-17(27)15-13(5-4-11(24-15)9-29-3)23-12-6-20-10-21-7-12/h4-8,10,23H,9H2,1-3H3,(H,19,28)(H,25,27)
InChIKeyGTIVDIALLKAYIU-UHFFFAOYSA-N
XLogP1.11
TPSA135.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 54759836) is 6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CNC(=O)c1c(NC(=O)c2nc(COC)ccc2Nc2cncnc2)cnn1C.
What is the InChIKey of 6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is GTIVDIALLKAYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O3/c1-19-18(28)16-14(8-22-26(16)2)25-17(27)15-13(5-4-11(24-15)9-29-3)23-12-6-20-10-21-7-12/h4-8,10,23H,9H2,1-3H3,(H,19,28)(H,25,27).
What are the key properties of 6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 396.41 g/mol, XLogP of 1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-[1-methyl-5-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 54759836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).