2-amino-N-[(6-cyano-2-methyl-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide

C25H23N7O — CID 156830417

About 2-amino-N-[(6-cyano-2-methyl-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide

2-amino-N-[(6-cyano-2-methyl-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide (PubChem CID 156830417) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-amino-N-[(6-cyano-2-methyl-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(6-cyano-2-methyl-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
• PubChem CID: 156830417
• Molecular Formula: C25H23N7O
• Molecular Weight: 437.51 g/mol
• Exact Mass: 437.20
• IUPAC Name: 2-amino-N-[(6-cyano-2-methyl-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
• SMILES: Cc1cc2cc(C(=O)N(Cc3ccc(C#N)nc3C)[C@H](C)c3ncccn3)ccc2nc1N
• InChI: InChI=1S/C25H23N7O/c1-15-11-20-12-18(6-8-22(20)31-23(15)27)25(33)32(17(3)24-28-9-4-10-29-24)14-19-5-7-21(13-26)30-16(19)2/h4-12,17H,14H2,1-3H3,(H2,27,31)/t17-/m1/s1
• InChIKey: DHLKCYRJUWVCMY-QGZVFWFLSA-N
• XLogP: 3.89
• TPSA: 121.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.51
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(6-cyano-2-methyl-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide?

The IUPAC name of 2-amino-N-[(6-cyano-2-methyl-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide (CID 156830417) is 2-amino-N-[(6-cyano-2-methyl-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide.

What is the SMILES notation for 2-amino-N-[(6-cyano-2-methyl-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide?

The canonical SMILES for 2-amino-N-[(6-cyano-2-methyl-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide is Cc1cc2cc(C(=O)N(Cc3ccc(C#N)nc3C)[C@H](C)c3ncccn3)ccc2nc1N.

What is the InChIKey of 2-amino-N-[(6-cyano-2-methyl-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide?

The InChIKey is DHLKCYRJUWVCMY-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23N7O/c1-15-11-20-12-18(6-8-22(20)31-23(15)27)25(33)32(17(3)24-28-9-4-10-29-24)14-19-5-7-21(13-26)30-16(19)2/h4-12,17H,14H2,1-3H3,(H2,27,31)/t17-/m1/s1.

What are the key properties of 2-amino-N-[(6-cyano-2-methyl-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide?

2-amino-N-[(6-cyano-2-methyl-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide has a molecular weight of 437.51 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(6-cyano-2-methyl-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).