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

C24H23F3N4O — CID 146014435

IUPAC4-(2,5-difluorophenyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c(-c3cc(F)ccc3F)ccnc2N2CC[C@H](F)C2)cn1
InChIInChI=1S/C24H23F3N4O/c1-14(2)21-6-4-17(12-29-21)30-24(32)22-18(19-11-15(25)3-5-20(19)27)7-9-28-23(22)31-10-8-16(26)13-31/h3-7,9,11-12,14,16H,8,10,13H2,1-2H3,(H,30,32)/t16-/m0/s1
InChIKeyHRGJTEFGFUJXIF-INIZCTEOSA-N
MW440.47 g/mol
LogP5.35
Rot. Bonds5

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

4-(2,5-difluorophenyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 146014435) has the molecular formula C24H23F3N4O and a molecular weight of 440.47 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID146014435
Molecular FormulaC24H23F3N4O
Molecular Weight440.47 g/mol
Exact Mass440.18
IUPAC Name4-(2,5-difluorophenyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2c(-c3cc(F)ccc3F)ccnc2N2CC[C@H](F)C2)cn1
InChIInChI=1S/C24H23F3N4O/c1-14(2)21-6-4-17(12-29-21)30-24(32)22-18(19-11-15(25)3-5-20(19)27)7-9-28-23(22)31-10-8-16(26)13-31/h3-7,9,11-12,14,16H,8,10,13H2,1-2H3,(H,30,32)/t16-/m0/s1
InChIKeyHRGJTEFGFUJXIF-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 4-(2,5-difluorophenyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 4-(2,5-difluorophenyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide (CID 146014435) is 4-(2,5-difluorophenyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(2,5-difluorophenyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(2,5-difluorophenyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide is CC(C)c1ccc(NC(=O)c2c(-c3cc(F)ccc3F)ccnc2N2CC[C@H](F)C2)cn1.
What is the InChIKey of 4-(2,5-difluorophenyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is HRGJTEFGFUJXIF-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23F3N4O/c1-14(2)21-6-4-17(12-29-21)30-24(32)22-18(19-11-15(25)3-5-20(19)27)7-9-28-23(22)31-10-8-16(26)13-31/h3-7,9,11-12,14,16H,8,10,13H2,1-2H3,(H,30,32)/t16-/m0/s1.
What are the key properties of 4-(2,5-difluorophenyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide?
4-(2,5-difluorophenyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-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 4-(2,5-difluorophenyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 146014435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).