4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide

C25H31N7O2 — CID 67501907

About 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide

4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide (PubChem CID 67501907) has the molecular formula C25H31N7O2 and a molecular weight of 461.57 g/mol. Its IUPAC name is 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
• PubChem CID: 67501907
• Molecular Formula: C25H31N7O2
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.25
• IUPAC Name: 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide
• SMILES: CCC(=O)N1CCC(c2ccc(Nc3cc(N(C)c4cnn(C)c4)c(C(N)=O)cn3)cc2)CC1
• InChI: InChI=1S/C25H31N7O2/c1-4-24(33)32-11-9-18(10-12-32)17-5-7-19(8-6-17)29-23-13-22(21(15-27-23)25(26)34)31(3)20-14-28-30(2)16-20/h5-8,13-16,18H,4,9-12H2,1-3H3,(H2,26,34)(H,27,29)
• InChIKey: RWUBZGWBWVKAQN-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 109.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?

The IUPAC name of 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide (CID 67501907) is 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide.

What is the SMILES notation for 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?

The canonical SMILES for 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide is CCC(=O)N1CCC(c2ccc(Nc3cc(N(C)c4cnn(C)c4)c(C(N)=O)cn3)cc2)CC1.

What is the InChIKey of 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?

The InChIKey is RWUBZGWBWVKAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2/c1-4-24(33)32-11-9-18(10-12-32)17-5-7-19(8-6-17)29-23-13-22(21(15-27-23)25(26)34)31(3)20-14-28-30(2)16-20/h5-8,13-16,18H,4,9-12H2,1-3H3,(H2,26,34)(H,27,29).

What are the key properties of 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide?

4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[methyl-(1-methylpyrazol-4-yl)amino]-6-[4-(1-propanoylpiperidin-4-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 67501907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).