4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

C26H31N7O2 — CID 175501403

About 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 175501403) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
• PubChem CID: 175501403
• Molecular Formula: C26H31N7O2
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.25
• IUPAC Name: 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
• SMILES: CN1CCN(c2ccc(Nc3cc(Nc4ccccc4OCC4CC4)c(C(N)=O)cn3)nc2)CC1
• InChI: InChI=1S/C26H31N7O2/c1-32-10-12-33(13-11-32)19-8-9-24(28-15-19)31-25-14-22(20(16-29-25)26(27)34)30-21-4-2-3-5-23(21)35-17-18-6-7-18/h2-5,8-9,14-16,18H,6-7,10-13,17H2,1H3,(H2,27,34)(H2,28,29,30,31)
• InChIKey: LNXSRFDJLXURMX-UHFFFAOYSA-N
• XLogP: 3.60
• TPSA: 108.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (CID 175501403) is 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.

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

The canonical SMILES for 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is CN1CCN(c2ccc(Nc3cc(Nc4ccccc4OCC4CC4)c(C(N)=O)cn3)nc2)CC1.

What is the InChIKey of 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?

The InChIKey is LNXSRFDJLXURMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-32-10-12-33(13-11-32)19-8-9-24(28-15-19)31-25-14-22(20(16-29-25)26(27)34)30-21-4-2-3-5-23(21)35-17-18-6-7-18/h2-5,8-9,14-16,18H,6-7,10-13,17H2,1H3,(H2,27,34)(H2,28,29,30,31).

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

4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.60, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(cyclopropylmethoxy)anilino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 175501403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).