N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide

C29H32N6O2 — CID 69477161

About N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide

N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide (PubChem CID 69477161) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide
• PubChem CID: 69477161
• Molecular Formula: C29H32N6O2
• Molecular Weight: 496.62 g/mol
• Exact Mass: 496.26
• IUPAC Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide
• SMILES: Cc1cccc(Oc2ncccc2C(=O)NC2CCC(Nc3nc(N(C)C)c4ccccc4n3)CC2)c1
• InChI: InChI=1S/C29H32N6O2/c1-19-8-6-9-22(18-19)37-28-24(11-7-17-30-28)27(36)31-20-13-15-21(16-14-20)32-29-33-25-12-5-4-10-23(25)26(34-29)35(2)3/h4-12,17-18,20-21H,13-16H2,1-3H3,(H,31,36)(H,32,33,34)
• InChIKey: ZOVHWAJIWFGRGS-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.62
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide?

The IUPAC name of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide (CID 69477161) is N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide?

The canonical SMILES for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide is Cc1cccc(Oc2ncccc2C(=O)NC2CCC(Nc3nc(N(C)C)c4ccccc4n3)CC2)c1.

What is the InChIKey of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide?

The InChIKey is ZOVHWAJIWFGRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-19-8-6-9-22(18-19)37-28-24(11-7-17-30-28)27(36)31-20-13-15-21(16-14-20)32-29-33-25-12-5-4-10-23(25)26(34-29)35(2)3/h4-12,17-18,20-21H,13-16H2,1-3H3,(H,31,36)(H,32,33,34).

What are the key properties of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide?

N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide has a molecular weight of 496.62 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-(3-methylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 69477161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).