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

C20H24N8O4 — CID 58548409

IUPACN-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(COC)ccc2Nc2cncnc2)cnn1CCOC
InChIInChI=1S/C20H24N8O4/c1-21-20(30)18-16(10-24-28(18)6-7-31-2)27-19(29)17-15(5-4-13(26-17)11-32-3)25-14-8-22-12-23-9-14/h4-5,8-10,12,25H,6-7,11H2,1-3H3,(H,21,30)(H,27,29)
InChIKeyCFVIGGOTMYUKHA-UHFFFAOYSA-N
MW440.46 g/mol
LogP1.22
Rot. Bonds10

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

N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548409) has the molecular formula C20H24N8O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548409
Molecular FormulaC20H24N8O4
Molecular Weight440.46 g/mol
Exact Mass440.19
IUPAC NameN-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1c(NC(=O)c2nc(COC)ccc2Nc2cncnc2)cnn1CCOC
InChIInChI=1S/C20H24N8O4/c1-21-20(30)18-16(10-24-28(18)6-7-31-2)27-19(29)17-15(5-4-13(26-17)11-32-3)25-14-8-22-12-23-9-14/h4-5,8-10,12,25H,6-7,11H2,1-3H3,(H,21,30)(H,27,29)
InChIKeyCFVIGGOTMYUKHA-UHFFFAOYSA-N
XLogP1.22
TPSA145.18 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548409) is N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CNC(=O)c1c(NC(=O)c2nc(COC)ccc2Nc2cncnc2)cnn1CCOC.
What is the InChIKey of N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is CFVIGGOTMYUKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O4/c1-21-20(30)18-16(10-24-28(18)6-7-31-2)27-19(29)17-15(5-4-13(26-17)11-32-3)25-14-8-22-12-23-9-14/h4-5,8-10,12,25H,6-7,11H2,1-3H3,(H,21,30)(H,27,29).
What are the key properties of N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 1.22, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-5-(methylcarbamoyl)pyrazol-4-yl]-6-(methoxymethyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).