N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide

C27H23N5O4 — CID 141244816

About N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide

N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 141244816) has the molecular formula C27H23N5O4 and a molecular weight of 481.51 g/mol. Its IUPAC name is N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
• PubChem CID: 141244816
• Molecular Formula: C27H23N5O4
• Molecular Weight: 481.51 g/mol
• Exact Mass: 481.18
• IUPAC Name: N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
• SMILES: NC(=O)C1([C@H](Cc2ccccc2)NC(=O)c2cccnc2-n2ccc(-c3ccccc3)n2)OC=CO1
• InChI: InChI=1S/C27H23N5O4/c28-26(34)27(35-16-17-36-27)23(18-19-8-3-1-4-9-19)30-25(33)21-12-7-14-29-24(21)32-15-13-22(31-32)20-10-5-2-6-11-20/h1-17,23H,18H2,(H2,28,34)(H,30,33)/t23-/m0/s1
• InChIKey: FDLJCRZGRWRZNR-QHCPKHFHSA-N
• XLogP: 2.97
• TPSA: 121.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.51
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide (CID 141244816) is N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide is NC(=O)C1([C@H](Cc2ccccc2)NC(=O)c2cccnc2-n2ccc(-c3ccccc3)n2)OC=CO1.

What is the InChIKey of N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?

The InChIKey is FDLJCRZGRWRZNR-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H23N5O4/c28-26(34)27(35-16-17-36-27)23(18-19-8-3-1-4-9-19)30-25(33)21-12-7-14-29-24(21)32-15-13-22(31-32)20-10-5-2-6-11-20/h1-17,23H,18H2,(H2,28,34)(H,30,33)/t23-/m0/s1.

What are the key properties of N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide?

N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 481.51 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(2-carbamoyl-1,3-dioxol-2-yl)-2-phenylethyl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 141244816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).