4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]pyrrolidine-2-carboxamide

About 4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]pyrrolidine-2-carboxamide

4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]pyrrolidine-2-carboxamide (PubChem CID 165139502) has the molecular formula C27H28F2N4O3 and a molecular weight of 494.54 g/mol. Its IUPAC name is 4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name	4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]pyrrolidine-2-carboxamide
PubChem CID	165139502
Molecular Formula	C27H28F2N4O3
Molecular Weight	494.54 g/mol
Exact Mass	494.21
IUPAC Name	4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]pyrrolidine-2-carboxamide
SMILES	CC(C)c1ccc(C(NC(=O)C2CC(F)CN2C(=O)Cc2ccc[nH]c2=O)c2ccccc2)nc1F
InChI	InChI=1S/C27H28F2N4O3/c1-16(2)20-10-11-21(31-25(20)29)24(17-7-4-3-5-8-17)32-27(36)22-14-19(28)15-33(22)23(34)13-18-9-6-12-30-26(18)35/h3-12,16,19,22,24H,13-15H2,1-2H3,(H,30,35)(H,32,36)
InChIKey	DQISYTFUIFZBAO-UHFFFAOYSA-N
XLogP	3.42
TPSA	95.16 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	7
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.54
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]pyrrolidine-2-carboxamide?

The IUPAC name of 4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]pyrrolidine-2-carboxamide (CID 165139502) is 4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]pyrrolidine-2-carboxamide?

The canonical SMILES for 4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]pyrrolidine-2-carboxamide is CC(C)c1ccc(C(NC(=O)C2CC(F)CN2C(=O)Cc2ccc[nH]c2=O)c2ccccc2)nc1F.

What is the InChIKey of 4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]pyrrolidine-2-carboxamide?

The InChIKey is DQISYTFUIFZBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N4O3/c1-16(2)20-10-11-21(31-25(20)29)24(17-7-4-3-5-8-17)32-27(36)22-14-19(28)15-33(22)23(34)13-18-9-6-12-30-26(18)35/h3-12,16,19,22,24H,13-15H2,1-2H3,(H,30,35)(H,32,36).

What are the key properties of 4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]pyrrolidine-2-carboxamide?

4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 494.54 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]-1-[2-(2-oxo-1H-pyridin-3-yl)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165139502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).