1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride

C22H27ClN6O2 — CID 153286998

About 1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride

1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride (PubChem CID 153286998) has the molecular formula C22H27ClN6O2 and a molecular weight of 442.95 g/mol. Its IUPAC name is 1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
• PubChem CID: 153286998
• Molecular Formula: C22H27ClN6O2
• Molecular Weight: 442.95 g/mol
• Exact Mass: 442.19
• IUPAC Name: 1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride
• SMILES: Cc1nc(N)ccc1CNC(=O)[C@@H](C)C1NC(C(N)=O)Cc2c1[nH]c1ccccc21.Cl
• InChI: InChI=1S/C22H26N6O2.ClH/c1-11(22(30)25-10-13-7-8-18(23)26-12(13)2)19-20-15(9-17(28-19)21(24)29)14-5-3-4-6-16(14)27-20;/h3-8,11,17,19,27-28H,9-10H2,1-2H3,(H2,23,26)(H2,24,29)(H,25,30);1H/t11-,17?,19?;/m0./s1
• InChIKey: MVUOQODUYWMXEM-HQSCRWKQSA-N
• XLogP: 1.87
• TPSA: 138.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.95
LogP ≤ 5	1.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride?

The IUPAC name of 1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride (CID 153286998) is 1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride.

What is the SMILES notation for 1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride?

The canonical SMILES for 1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride is Cc1nc(N)ccc1CNC(=O)[C@@H](C)C1NC(C(N)=O)Cc2c1[nH]c1ccccc21.Cl.

What is the InChIKey of 1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride?

The InChIKey is MVUOQODUYWMXEM-HQSCRWKQSA-N. The full InChI is InChI=1S/C22H26N6O2.ClH/c1-11(22(30)25-10-13-7-8-18(23)26-12(13)2)19-20-15(9-17(28-19)21(24)29)14-5-3-4-6-16(14)27-20;/h3-8,11,17,19,27-28H,9-10H2,1-2H3,(H2,23,26)(H2,24,29)(H,25,30);1H/t11-,17?,19?;/m0./s1.

What are the key properties of 1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride?

1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride has a molecular weight of 442.95 g/mol, XLogP of 1.87, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-1-oxopropan-2-yl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 153286998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).