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

C16H17F2N3O2 — CID 109167317

IUPACN-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C16H17F2N3O2/c1-23-8-2-6-19-15-9-11(5-7-20-15)16(22)21-12-3-4-13(17)14(18)10-12/h3-5,7,9-10H,2,6,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyLYZOSNFLCDVDTQ-UHFFFAOYSA-N
MW321.33 g/mol
LogP3.06
Rot. Bonds7

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

N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide (PubChem CID 109167317) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
PubChem CID109167317
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC NameN-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C16H17F2N3O2/c1-23-8-2-6-19-15-9-11(5-7-20-15)16(22)21-12-3-4-13(17)14(18)10-12/h3-5,7,9-10H,2,6,8H2,1H3,(H,19,20)(H,21,22)
InChIKeyLYZOSNFLCDVDTQ-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167267
2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109167315
4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082791
2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109167231
N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172961
N-(3,4-difluorophenyl)-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206385
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300152
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109173957
N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167233
2-(3-methoxypropylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 109167318
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
CID 109174963
N-(3,4-difluorophenyl)-2-[(2-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109169746

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide (CID 109167317) is N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide is COCCCNc1cc(C(=O)Nc2ccc(F)c(F)c2)ccn1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide?
The InChIKey is LYZOSNFLCDVDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-23-8-2-6-19-15-9-11(5-7-20-15)16(22)21-12-3-4-13(17)14(18)10-12/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)-2-(3-methoxypropylamino)pyridine-4-carboxamide?
N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-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)-2-(3-methoxypropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109167317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).