6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C20H18N8O — CID 165415085

IUPAC6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCc1cc(Nc2cncnc2)cc(C(=O)Nc2cc(-c3ccccn3)nn2C)n1
InChIInChI=1S/C20H18N8O/c1-13-7-14(25-15-10-21-12-22-11-15)8-18(24-13)20(29)26-19-9-17(27-28(19)2)16-5-3-4-6-23-16/h3-12H,1-2H3,(H,24,25)(H,26,29)
InChIKeyRMCVUCYGIRNHLZ-UHFFFAOYSA-N
MW386.42 g/mol
LogP2.97
Rot. Bonds5

About 6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 165415085) has the molecular formula C20H18N8O and a molecular weight of 386.42 g/mol. Its IUPAC name is 6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID165415085
Molecular FormulaC20H18N8O
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCc1cc(Nc2cncnc2)cc(C(=O)Nc2cc(-c3ccccn3)nn2C)n1
InChIInChI=1S/C20H18N8O/c1-13-7-14(25-15-10-21-12-22-11-15)8-18(24-13)20(29)26-19-9-17(27-28(19)2)16-5-3-4-6-23-16/h3-12H,1-2H3,(H,24,25)(H,26,29)
InChIKeyRMCVUCYGIRNHLZ-UHFFFAOYSA-N
XLogP2.97
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 165415085) is 6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide is Cc1cc(Nc2cncnc2)cc(C(=O)Nc2cc(-c3ccccn3)nn2C)n1.
What is the InChIKey of 6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is RMCVUCYGIRNHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O/c1-13-7-14(25-15-10-21-12-22-11-15)8-18(24-13)20(29)26-19-9-17(27-28(19)2)16-5-3-4-6-23-16/h3-12H,1-2H3,(H,24,25)(H,26,29).
What are the key properties of 6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-4-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 165415085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).