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

C20H22N8O3 — CID 58548306

IUPACN-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1nc(C2CCCO2)ccc1Nc1cncnc1
InChIInChI=1S/C20H22N8O3/c1-21-19(29)18-15(10-28(2)27-18)26-20(30)17-14(24-12-8-22-11-23-9-12)6-5-13(25-17)16-4-3-7-31-16/h5-6,8-11,16,24H,3-4,7H2,1-2H3,(H,21,29)(H,26,30)
InChIKeyFALNKKKMPBOQGL-UHFFFAOYSA-N
MW422.45 g/mol
LogP1.81
Rot. Bonds6

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

N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548306) has the molecular formula C20H22N8O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548306
Molecular FormulaC20H22N8O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC NameN-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1nc(C2CCCO2)ccc1Nc1cncnc1
InChIInChI=1S/C20H22N8O3/c1-21-19(29)18-15(10-28(2)27-18)26-20(30)17-14(24-12-8-22-11-23-9-12)6-5-13(25-17)16-4-3-7-31-16/h5-6,8-11,16,24H,3-4,7H2,1-2H3,(H,21,29)(H,26,30)
InChIKeyFALNKKKMPBOQGL-UHFFFAOYSA-N
XLogP1.81
TPSA135.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548306) is N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1nc(C2CCCO2)ccc1Nc1cncnc1.
What is the InChIKey of N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is FALNKKKMPBOQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O3/c1-21-19(29)18-15(10-28(2)27-18)26-20(30)17-14(24-12-8-22-11-23-9-12)6-5-13(25-17)16-4-3-7-31-16/h5-6,8-11,16,24H,3-4,7H2,1-2H3,(H,21,29)(H,26,30).
What are the key properties of N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 422.45 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-6-(oxolan-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).