N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide

C16H17F2N3O2 — CID 109206385

IUPACN-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H17F2N3O2/c1-23-8-2-6-19-11-5-7-20-15(10-11)16(22)21-12-3-4-13(17)14(18)9-12/h3-5,7,9-10H,2,6,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyXZOZAEBSXJUFCC-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.06
Rot. Bonds7

About N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide

N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide (PubChem CID 109206385) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
PubChem CID109206385
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
SMILESCOCCCNc1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H17F2N3O2/c1-23-8-2-6-19-11-5-7-20-15(10-11)16(22)21-12-3-4-13(17)14(18)9-12/h3-5,7,9-10H,2,6,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyXZOZAEBSXJUFCC-UHFFFAOYSA-N
XLogP3.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 53.06
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)pyrimidine-4-carboxamide
CID 109300152
N-(4-bromophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206317
4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082791
N-(5-chloro-2-methylphenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206310
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167317
N-(4-acetamidophenyl)-4-(2-methoxyethylamino)pyridine-2-carboxamide
CID 109205974
N-[2-(4-chlorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206249
N-(3,4-difluorophenyl)-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202462
N-(3,4-difluorophenyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213522
N-(3,4-difluorophenyl)-4-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109211615
4-(3-methoxypropylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109206386
N-cyclopropyl-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109201692

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide (CID 109206385) is N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide is COCCCNc1ccnc(C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
The InChIKey is XZOZAEBSXJUFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-23-8-2-6-19-11-5-7-20-15(10-11)16(22)21-12-3-4-13(17)14(18)9-12/h3-5,7,9-10H,2,6,8H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide?
N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide has a molecular weight of 321.33 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109206385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).