N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide

C29H37N7O2 — CID 164767408

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide (PubChem CID 164767408) has the molecular formula C29H37N7O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide
• PubChem CID: 164767408
• Molecular Formula: C29H37N7O2
• Molecular Weight: 515.66 g/mol
• Exact Mass: 515.30
• IUPAC Name: N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide
• SMILES: CCn1ncc(CN(C)C(=O)c2cc(-c3ccc(NCC(O)CNC)c(C)n3)nc3ccc(C)cc23)c1C
• InChI: InChI=1S/C29H37N7O2/c1-7-36-20(4)21(14-32-36)17-35(6)29(38)24-13-28(34-26-9-8-18(2)12-23(24)26)27-11-10-25(19(3)33-27)31-16-22(37)15-30-5/h8-14,22,30-31,37H,7,15-17H2,1-6H3
• InChIKey: UNPQADIMTIDANX-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 108.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.66
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide?

The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide (CID 164767408) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide.

What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide?

The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide is CCn1ncc(CN(C)C(=O)c2cc(-c3ccc(NCC(O)CNC)c(C)n3)nc3ccc(C)cc23)c1C.

What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide?

The InChIKey is UNPQADIMTIDANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O2/c1-7-36-20(4)21(14-32-36)17-35(6)29(38)24-13-28(34-26-9-8-18(2)12-23(24)26)27-11-10-25(19(3)33-27)31-16-22(37)15-30-5/h8-14,22,30-31,37H,7,15-17H2,1-6H3.

What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide?

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide has a molecular weight of 515.66 g/mol, XLogP of 3.70, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-[5-[[2-hydroxy-3-(methylamino)propyl]amino]-6-methyl-2-pyridinyl]-N,6-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 164767408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).