6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide

C30H36N10O2 — CID 67372281

About 6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide

6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 67372281) has the molecular formula C30H36N10O2 and a molecular weight of 568.69 g/mol. Its IUPAC name is 6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide
• PubChem CID: 67372281
• Molecular Formula: C30H36N10O2
• Molecular Weight: 568.69 g/mol
• Exact Mass: 568.30
• IUPAC Name: 6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide
• SMILES: CN1CCC(NC(=O)c2ccc(Nc3cc(NC4CCN(c5ccc(C#N)cn5)CC4)c(C(N)=O)cn3)cc2N)CC1
• InChI: InChI=1S/C30H36N10O2/c1-39-10-6-21(7-11-39)38-30(42)23-4-3-22(14-25(23)32)37-27-15-26(24(18-34-27)29(33)41)36-20-8-12-40(13-9-20)28-5-2-19(16-31)17-35-28/h2-5,14-15,17-18,20-21H,6-13,32H2,1H3,(H2,33,41)(H,38,42)(H2,34,36,37)
• InChIKey: KYQQNODORATUQC-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 178.32 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.69
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide?

The IUPAC name of 6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide (CID 67372281) is 6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide?

The canonical SMILES for 6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide is CN1CCC(NC(=O)c2ccc(Nc3cc(NC4CCN(c5ccc(C#N)cn5)CC4)c(C(N)=O)cn3)cc2N)CC1.

What is the InChIKey of 6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide?

The InChIKey is KYQQNODORATUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N10O2/c1-39-10-6-21(7-11-39)38-30(42)23-4-3-22(14-25(23)32)37-27-15-26(24(18-34-27)29(33)41)36-20-8-12-40(13-9-20)28-5-2-19(16-31)17-35-28/h2-5,14-15,17-18,20-21H,6-13,32H2,1H3,(H2,33,41)(H,38,42)(H2,34,36,37).

What are the key properties of 6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide?

6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 568.69 g/mol, XLogP of 2.68, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-amino-4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 67372281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).