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

C16H16F3N3O2 — CID 109167315

IUPAC2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(F)c(F)c2F)ccn1
InChIInChI=1S/C16H16F3N3O2/c1-24-8-2-6-20-13-9-10(5-7-21-13)16(23)22-12-4-3-11(17)14(18)15(12)19/h3-5,7,9H,2,6,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyFYPCYCSDDKSFBC-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.20
Rot. Bonds7

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

2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide (PubChem CID 109167315) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
PubChem CID109167315
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
SMILESCOCCCNc1cc(C(=O)Nc2ccc(F)c(F)c2F)ccn1
InChIInChI=1S/C16H16F3N3O2/c1-24-8-2-6-20-13-9-10(5-7-21-13)16(23)22-12-4-3-11(17)14(18)15(12)19/h3-5,7,9H,2,6,8H2,1H3,(H,20,21)(H,22,23)
InChIKeyFYPCYCSDDKSFBC-UHFFFAOYSA-N
XLogP3.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167317
N-(4-acetylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167267
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
2-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109167231
N-[(4-chlorophenyl)methyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167164
N-(2,3-difluorophenyl)-2-(ethylamino)pyridine-4-carboxamide
CID 62179197
methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109166947
2-amino-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 62151990
5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109276018
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991
N-(2-methoxy-5-methylphenyl)-2-(2,3,4-trifluoroanilino)pyridine-4-carboxamide
CID 109178240

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide (CID 109167315) is 2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide is COCCCNc1cc(C(=O)Nc2ccc(F)c(F)c2F)ccn1.
What is the InChIKey of 2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
The InChIKey is FYPCYCSDDKSFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-24-8-2-6-20-13-9-10(5-7-21-13)16(23)22-12-4-3-11(17)14(18)15(12)19/h3-5,7,9H,2,6,8H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide?
2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide has a molecular weight of 339.32 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109167315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).