2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide

C24H30N6O3 — CID 163832924

About 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide

2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide (PubChem CID 163832924) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide
• PubChem CID: 163832924
• Molecular Formula: C24H30N6O3
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.24
• IUPAC Name: 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide
• SMILES: CCCNC(=O)C(NC(=O)c1cc(-c2cnn(C)c2)cnc1N)[C@@H](C)OCc1ccccc1
• InChI: InChI=1S/C24H30N6O3/c1-4-10-26-24(32)21(16(2)33-15-17-8-6-5-7-9-17)29-23(31)20-11-18(12-27-22(20)25)19-13-28-30(3)14-19/h5-9,11-14,16,21H,4,10,15H2,1-3H3,(H2,25,27)(H,26,32)(H,29,31)/t16-,21?/m1/s1
• InChIKey: OFFPBVRPPBECSE-UJONTBEJSA-N
• XLogP: 2.29
• TPSA: 124.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide?

The IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide (CID 163832924) is 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide is CCCNC(=O)C(NC(=O)c1cc(-c2cnn(C)c2)cnc1N)[C@@H](C)OCc1ccccc1.

What is the InChIKey of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide?

The InChIKey is OFFPBVRPPBECSE-UJONTBEJSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-4-10-26-24(32)21(16(2)33-15-17-8-6-5-7-9-17)29-23(31)20-11-18(12-27-22(20)25)19-13-28-30(3)14-19/h5-9,11-14,16,21H,4,10,15H2,1-3H3,(H2,25,27)(H,26,32)(H,29,31)/t16-,21?/m1/s1.

What are the key properties of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide?

2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.29, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3R)-1-oxo-3-phenylmethoxy-1-(propylamino)butan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 163832924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).