(2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen

C24H29N3O — CID 160984373

About (2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen

(2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 160984373) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is (2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen
• PubChem CID: 160984373
• Molecular Formula: C24H29N3O
• Molecular Weight: 375.52 g/mol
• Exact Mass: 375.23
• IUPAC Name: (2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen
• SMILES: CC#Cc1ccc(NC[C@@H](C)c2ccccc2)nc1C(=O)c1cccnc1C.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H23N3O.3H2/c1-4-9-20-13-14-22(26-16-17(2)19-10-6-5-7-11-19)27-23(20)24(28)21-12-8-15-25-18(21)3;;;/h5-8,10-15,17H,16H2,1-3H3,(H,26,27);3*1H/t17-;;;/m1.../s1
• InChIKey: SZXVSSGLIWDQIK-NMRXSTGRSA-N
• XLogP: 5.34
• TPSA: 54.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.52
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen?

The IUPAC name of (2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen (CID 160984373) is (2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen.

What is the SMILES notation for (2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen?

The canonical SMILES for (2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen is CC#Cc1ccc(NC[C@@H](C)c2ccccc2)nc1C(=O)c1cccnc1C.[H][H].[H][H].[H][H].

What is the InChIKey of (2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen?

The InChIKey is SZXVSSGLIWDQIK-NMRXSTGRSA-N. The full InChI is InChI=1S/C24H23N3O.3H2/c1-4-9-20-13-14-22(26-16-17(2)19-10-6-5-7-11-19)27-23(20)24(28)21-12-8-15-25-18(21)3;;;/h5-8,10-15,17H,16H2,1-3H3,(H,26,27);3*1H/t17-;;;/m1.../s1.

What are the key properties of (2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen?

(2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 375.52 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methyl-3-pyridinyl)-[6-[[(2S)-2-phenylpropyl]amino]-3-prop-1-ynyl-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 160984373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).