4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide

C17H17F2N3O3 — CID 109082791

IUPAC4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
SMILESCOCCCNC(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C17H17F2N3O3/c1-25-8-2-6-21-17(24)15-9-11(5-7-20-15)16(23)22-12-3-4-13(18)14(19)10-12/h3-5,7,9-10H,2,6,8H2,1H3,(H,21,24)(H,22,23)
InChIKeyFVRPQUIDPFDPIB-UHFFFAOYSA-N
MW349.34 g/mol
LogP2.38
Rot. Bonds7

About 4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide

4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide (PubChem CID 109082791) has the molecular formula C17H17F2N3O3 and a molecular weight of 349.34 g/mol. Its IUPAC name is 4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
PubChem CID109082791
Molecular FormulaC17H17F2N3O3
Molecular Weight349.34 g/mol
Exact Mass349.12
IUPAC Name4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
SMILESCOCCCNC(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C17H17F2N3O3/c1-25-8-2-6-21-17(24)15-9-11(5-7-20-15)16(23)22-12-3-4-13(18)14(19)10-12/h3-5,7,9-10H,2,6,8H2,1H3,(H,21,24)(H,22,23)
InChIKeyFVRPQUIDPFDPIB-UHFFFAOYSA-N
XLogP2.38
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 52.38
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

N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167317
N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206385
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082770
2-N-(3,4-dimethoxyphenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082596
4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082732
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
4-N-(3,4-difluorophenyl)-2-N-(3-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109093066
2-N-(3-bromophenyl)-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082614
2-N-(3,4-difluorophenyl)-4-N-(4-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109092288
2-N-tert-butyl-4-N-(3,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109089355
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300152
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide (CID 109082791) is 4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide is COCCCNC(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1.
What is the InChIKey of 4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The InChIKey is FVRPQUIDPFDPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N3O3/c1-25-8-2-6-21-17(24)15-9-11(5-7-20-15)16(23)22-12-3-4-13(18)14(19)10-12/h3-5,7,9-10H,2,6,8H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide has a molecular weight of 349.34 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).