5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

C17H20F2N4O — CID 109186081

IUPAC5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C17H20F2N4O/c1-23(2)10-4-9-20-17(24)15-8-7-12(11-21-15)22-16-13(18)5-3-6-14(16)19/h3,5-8,11,22H,4,9-10H2,1-2H3,(H,20,24)
InChIKeyHMDREPYVFTYVRG-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.78
Rot. Bonds7

About 5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (PubChem CID 109186081) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is 5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
PubChem CID109186081
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(Nc2c(F)cccc2F)cn1
InChIInChI=1S/C17H20F2N4O/c1-23(2)10-4-9-20-17(24)15-8-7-12(11-21-15)22-16-13(18)5-3-6-14(16)19/h3,5-8,11,22H,4,9-10H2,1-2H3,(H,20,24)
InChIKeyHMDREPYVFTYVRG-UHFFFAOYSA-N
XLogP2.78
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.78
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

5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186013
5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186076
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109186106
N-[2-(dimethylamino)ethyl]-5-(2-methyl-6-propan-2-ylanilino)pyridine-2-carboxamide
CID 109185373
5-[2-(dimethylamino)ethylamino]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184198
5-(2,6-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109193759
5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185426
N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide
CID 109185392
5-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 109200253
5-(2,6-difluoroanilino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109200665
5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109195788
5-(2,6-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109200966

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (CID 109186081) is 5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is CN(C)CCCNC(=O)c1ccc(Nc2c(F)cccc2F)cn1.
What is the InChIKey of 5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is HMDREPYVFTYVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-23(2)10-4-9-20-17(24)15-8-7-12(11-21-15)22-16-13(18)5-3-6-14(16)19/h3,5-8,11,22H,4,9-10H2,1-2H3,(H,20,24).
What are the key properties of 5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 334.37 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 109186081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).