6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide

C20H21F2N5O — CID 3906197

IUPAC6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cnn(-c3ccc(F)cc3F)c2)nc1
InChIInChI=1S/C20H21F2N5O/c1-26(2)9-3-8-23-20(28)14-4-6-18(24-11-14)15-12-25-27(13-15)19-7-5-16(21)10-17(19)22/h4-7,10-13H,3,8-9H2,1-2H3,(H,23,28)
InChIKeyQVLJLEDBKHOKMY-UHFFFAOYSA-N
MW385.42 g/mol
LogP2.89
Rot. Bonds7

About 6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide

6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide (PubChem CID 3906197) has the molecular formula C20H21F2N5O and a molecular weight of 385.42 g/mol. Its IUPAC name is 6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
PubChem CID3906197
Molecular FormulaC20H21F2N5O
Molecular Weight385.42 g/mol
Exact Mass385.17
IUPAC Name6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(-c2cnn(-c3ccc(F)cc3F)c2)nc1
InChIInChI=1S/C20H21F2N5O/c1-26(2)9-3-8-23-20(28)14-4-6-18(24-11-14)15-12-25-27(13-15)19-7-5-16(21)10-17(19)22/h4-7,10-13H,3,8-9H2,1-2H3,(H,23,28)
InChIKeyQVLJLEDBKHOKMY-UHFFFAOYSA-N
XLogP2.89
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide (CID 3906197) is 6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide is CN(C)CCCNC(=O)c1ccc(-c2cnn(-c3ccc(F)cc3F)c2)nc1.
What is the InChIKey of 6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The InChIKey is QVLJLEDBKHOKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N5O/c1-26(2)9-3-8-23-20(28)14-4-6-18(24-11-14)15-12-25-27(13-15)19-7-5-16(21)10-17(19)22/h4-7,10-13H,3,8-9H2,1-2H3,(H,23,28).
What are the key properties of 6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,4-difluorophenyl)pyrazol-4-yl]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 3906197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).