2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide

C18H21FN4O2 — CID 109084078

IUPAC2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cc(C(=O)Nc2ccccc2F)ccn1
InChIInChI=1S/C18H21FN4O2/c1-23(2)11-5-9-21-18(25)16-12-13(8-10-20-16)17(24)22-15-7-4-3-6-14(15)19/h3-4,6-8,10,12H,5,9,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyKFRYZHYKZDAGRC-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.15
Rot. Bonds7

About 2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide

2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109084078) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109084078
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cc(C(=O)Nc2ccccc2F)ccn1
InChIInChI=1S/C18H21FN4O2/c1-23(2)11-5-9-21-18(25)16-12-13(8-10-20-16)17(24)22-15-7-4-3-6-14(15)19/h3-4,6-8,10,12H,5,9,11H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyKFRYZHYKZDAGRC-UHFFFAOYSA-N
XLogP2.15
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-[3-(dimethylamino)propyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109084055
2-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109084067
2-N-[3-(dimethylamino)propyl]-4-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109084012
4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109083889
4-N-[3-(dimethylamino)propyl]-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109083926
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
4-N-(2-ethoxyphenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092650
2-N-[3-(dimethylamino)propyl]-4-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109084104
2-N-(2-fluorophenyl)-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092647
4-N-[2-(dimethylamino)ethyl]-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083406
2-N-(2-chlorophenyl)-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092591
2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078904

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide (CID 109084078) is 2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide is CN(C)CCCNC(=O)c1cc(C(=O)Nc2ccccc2F)ccn1.
What is the InChIKey of 2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is KFRYZHYKZDAGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-23(2)11-5-9-21-18(25)16-12-13(8-10-20-16)17(24)22-15-7-4-3-6-14(15)19/h3-4,6-8,10,12H,5,9,11H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide?
2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(dimethylamino)propyl]-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109084078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).