N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide

C30H30N4O3 — CID 118755607

About N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide

N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide (PubChem CID 118755607) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide
• PubChem CID: 118755607
• Molecular Formula: C30H30N4O3
• Molecular Weight: 494.60 g/mol
• Exact Mass: 494.23
• IUPAC Name: N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide
• SMILES: Cc1oc(-c2ccccc2NC(=O)c2cccnc2)nc1CNC(=O)C(c1ccccc1)C1CCCC1
• InChI: InChI=1S/C30H30N4O3/c1-20-26(19-32-29(36)27(22-12-5-6-13-22)21-10-3-2-4-11-21)34-30(37-20)24-15-7-8-16-25(24)33-28(35)23-14-9-17-31-18-23/h2-4,7-11,14-18,22,27H,5-6,12-13,19H2,1H3,(H,32,36)(H,33,35)
• InChIKey: NJADTCYMOKZMHI-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.60
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide (CID 118755607) is N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide is Cc1oc(-c2ccccc2NC(=O)c2cccnc2)nc1CNC(=O)C(c1ccccc1)C1CCCC1.

What is the InChIKey of N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide?

The InChIKey is NJADTCYMOKZMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-20-26(19-32-29(36)27(22-12-5-6-13-22)21-10-3-2-4-11-21)34-30(37-20)24-15-7-8-16-25(24)33-28(35)23-14-9-17-31-18-23/h2-4,7-11,14-18,22,27H,5-6,12-13,19H2,1H3,(H,32,36)(H,33,35).

What are the key properties of N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide?

N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 494.60 g/mol, XLogP of 5.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[(2-cyclopentyl-2-phenylacetyl)amino]methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118755607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).