N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide

C21H26N6O2 — CID 56597559

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 56597559) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 56597559
• Molecular Formula: C21H26N6O2
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.21
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: C=CCNc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C(C)C)c2n1
• InChI: InChI=1S/C21H26N6O2/c1-6-7-22-18-9-15(17-11-24-27(12(2)3)19(17)26-18)20(28)23-10-16-13(4)8-14(5)25-21(16)29/h6,8-9,11-12H,1,7,10H2,2-5H3,(H,22,26)(H,23,28)(H,25,29)
• InChIKey: MMDJLTWESKNNRE-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 104.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 56597559) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide is C=CCNc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C(C)C)c2n1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is MMDJLTWESKNNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-6-7-22-18-9-15(17-11-24-27(12(2)3)19(17)26-18)20(28)23-10-16-13(4)8-14(5)25-21(16)29/h6,8-9,11-12H,1,7,10H2,2-5H3,(H,22,26)(H,23,28)(H,25,29).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-(prop-2-enylamino)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 56597559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).