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

C24H24N6O2 — CID 156830805

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

2-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide (PubChem CID 156830805) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
• PubChem CID: 156830805
• Molecular Formula: C24H24N6O2
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.20
• IUPAC Name: 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide
• SMILES: COc1ccc(CN(C(=O)c2ccc3nc(N)c(C)cc3c2)[C@H](C)c2ncccn2)cn1
• InChI: InChI=1S/C24H24N6O2/c1-15-11-19-12-18(6-7-20(19)29-22(15)25)24(31)30(16(2)23-26-9-4-10-27-23)14-17-5-8-21(32-3)28-13-17/h4-13,16H,14H2,1-3H3,(H2,25,29)/t16-/m1/s1
• InChIKey: HLBVYOYNRSBFEJ-MRXNPFEDSA-N
• XLogP: 3.72
• TPSA: 107.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide (CID 156830805) is 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide.

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

The canonical SMILES for 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide is COc1ccc(CN(C(=O)c2ccc3nc(N)c(C)cc3c2)[C@H](C)c2ncccn2)cn1.

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

The InChIKey is HLBVYOYNRSBFEJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-15-11-19-12-18(6-7-20(19)29-22(15)25)24(31)30(16(2)23-26-9-4-10-27-23)14-17-5-8-21(32-3)28-13-17/h4-13,16H,14H2,1-3H3,(H2,25,29)/t16-/m1/s1.

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

2-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide has a molecular weight of 428.50 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-N-[(1R)-1-pyrimidin-2-ylethyl]quinoline-6-carboxamide is sourced from PubChem (CID 156830805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).