2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride

C25H28ClN3O3 — CID 69015094

About 2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride

2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride (PubChem CID 69015094) has the molecular formula C25H28ClN3O3 and a molecular weight of 453.97 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride
• PubChem CID: 69015094
• Molecular Formula: C25H28ClN3O3
• Molecular Weight: 453.97 g/mol
• Exact Mass: 453.18
• IUPAC Name: 2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride
• SMILES: CC(C)C(N)C(=O)Nc1ccc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)nc1.Cl
• InChI: InChI=1S/C25H27N3O3.ClH/c1-16(2)24(26)25(29)28-19-9-13-23(27-15-19)30-20-10-12-22-18(14-20)8-11-21(31-22)17-6-4-3-5-7-17;/h3-7,9-10,12-16,21,24H,8,11,26H2,1-2H3,(H,28,29);1H/t21-,24?;/m1./s1
• InChIKey: LJSLFJDKHYMXFV-TXMHOICOSA-N
• XLogP: 5.28
• TPSA: 86.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.97
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride?

The IUPAC name of 2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride (CID 69015094) is 2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride.

What is the SMILES notation for 2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride?

The canonical SMILES for 2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride is CC(C)C(N)C(=O)Nc1ccc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)nc1.Cl.

What is the InChIKey of 2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride?

The InChIKey is LJSLFJDKHYMXFV-TXMHOICOSA-N. The full InChI is InChI=1S/C25H27N3O3.ClH/c1-16(2)24(26)25(29)28-19-9-13-23(27-15-19)30-20-10-12-22-18(14-20)8-11-21(31-22)17-6-4-3-5-7-17;/h3-7,9-10,12-16,21,24H,8,11,26H2,1-2H3,(H,28,29);1H/t21-,24?;/m1./s1.

What are the key properties of 2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride?

2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride has a molecular weight of 453.97 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-methyl-N-[6-[[(2R)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]butanamide;hydrochloride is sourced from PubChem (CID 69015094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).