2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[8-(quinolin-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide

C29H30N6O3 — CID 58784104

About 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[8-(quinolin-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide

2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[8-(quinolin-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide (PubChem CID 58784104) has the molecular formula C29H30N6O3 and a molecular weight of 510.60 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[8-(quinolin-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[8-(quinolin-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide
• PubChem CID: 58784104
• Molecular Formula: C29H30N6O3
• Molecular Weight: 510.60 g/mol
• Exact Mass: 510.24
• IUPAC Name: 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[8-(quinolin-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide
• SMILES: CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2c(OCc3ccc4ccccc4n3)cccn12
• InChI: InChI=1S/C29H30N6O3/c1-29(2,30)28(36)32-24(19-37-17-20-9-4-3-5-10-20)26-33-34-27-25(13-8-16-35(26)27)38-18-22-15-14-21-11-6-7-12-23(21)31-22/h3-16,24H,17-19,30H2,1-2H3,(H,32,36)/t24-/m1/s1
• InChIKey: TXSDWWFSOYLTQB-XMMPIXPASA-N
• XLogP: 3.97
• TPSA: 116.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.60
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[8-(quinolin-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide?

The IUPAC name of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[8-(quinolin-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide (CID 58784104) is 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[8-(quinolin-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide.

What is the SMILES notation for 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[8-(quinolin-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide?

The canonical SMILES for 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[8-(quinolin-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide is CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnc2c(OCc3ccc4ccccc4n3)cccn12.

What is the InChIKey of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[8-(quinolin-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide?

The InChIKey is TXSDWWFSOYLTQB-XMMPIXPASA-N. The full InChI is InChI=1S/C29H30N6O3/c1-29(2,30)28(36)32-24(19-37-17-20-9-4-3-5-10-20)26-33-34-27-25(13-8-16-35(26)27)38-18-22-15-14-21-11-6-7-12-23(21)31-22/h3-16,24H,17-19,30H2,1-2H3,(H,32,36)/t24-/m1/s1.

What are the key properties of 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[8-(quinolin-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide?

2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[8-(quinolin-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide has a molecular weight of 510.60 g/mol, XLogP of 3.97, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-methyl-N-[(1S)-2-phenylmethoxy-1-[8-(quinolin-2-ylmethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]propanamide is sourced from PubChem (CID 58784104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).