3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide

C24H23F3N4O — CID 155557550

IUPAC3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c(-c3cc(F)ccc3F)cncc2N2CC[C@H](F)C2)cn1
InChIInChI=1S/C24H23F3N4O/c1-14(2)21-6-4-17(10-29-21)30-24(32)23-19(18-9-15(25)3-5-20(18)27)11-28-12-22(23)31-8-7-16(26)13-31/h3-6,9-12,14,16H,7-8,13H2,1-2H3,(H,30,32)/t16-/m0/s1
InChIKeyRHAQYJOKWJFNME-INIZCTEOSA-N
MW440.47 g/mol
LogP5.35
Rot. Bonds5

About 3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide

3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 155557550) has the molecular formula C24H23F3N4O and a molecular weight of 440.47 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide
PubChem CID155557550
Molecular FormulaC24H23F3N4O
Molecular Weight440.47 g/mol
Exact Mass440.18
IUPAC Name3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c(-c3cc(F)ccc3F)cncc2N2CC[C@H](F)C2)cn1
InChIInChI=1S/C24H23F3N4O/c1-14(2)21-6-4-17(10-29-21)30-24(32)23-19(18-9-15(25)3-5-20(18)27)11-28-12-22(23)31-8-7-16(26)13-31/h3-6,9-12,14,16H,7-8,13H2,1-2H3,(H,30,32)/t16-/m0/s1
InChIKeyRHAQYJOKWJFNME-INIZCTEOSA-N
XLogP5.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.47
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide (CID 155557550) is 3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide is CC(C)c1ccc(NC(=O)c2c(-c3cc(F)ccc3F)cncc2N2CC[C@H](F)C2)cn1.
What is the InChIKey of 3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is RHAQYJOKWJFNME-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23F3N4O/c1-14(2)21-6-4-17(10-29-21)30-24(32)23-19(18-9-15(25)3-5-20(18)27)11-28-12-22(23)31-8-7-16(26)13-31/h3-6,9-12,14,16H,7-8,13H2,1-2H3,(H,30,32)/t16-/m0/s1.
What are the key properties of 3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide?
3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 440.47 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-5-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 155557550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).