N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide

C18H21F3N4O — CID 109168255

IUPACN-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H21F3N4O/c1-25(2)10-4-8-23-17(26)13-7-9-22-16(11-13)24-15-6-3-5-14(12-15)18(19,20)21/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyYSYMPOSMUDOPTO-UHFFFAOYSA-N
MW366.39 g/mol
LogP3.53
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide

N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide (PubChem CID 109168255) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
PubChem CID109168255
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC NameN-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H21F3N4O/c1-25(2)10-4-8-23-17(26)13-7-9-22-16(11-13)24-15-6-3-5-14(12-15)18(19,20)21/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyYSYMPOSMUDOPTO-UHFFFAOYSA-N
XLogP3.53
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 53.53
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-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
N-[3-(dimethylamino)propyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109168244
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109301970
N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109172217
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109207209
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168260
2-(2,6-dichloroanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168292
N-(3-hydroxypropyl)-3-[[4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]benzamide
CID 164735182
2-[3-(dimethylamino)anilino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117092673
N-pentyl-2-[4-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109175363
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
N-[2-(dimethylamino)ethyl]-2-[2-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109167733

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide (CID 109168255) is N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide is CN(C)CCCNC(=O)c1ccnc(Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide?
The InChIKey is YSYMPOSMUDOPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-25(2)10-4-8-23-17(26)13-7-9-22-16(11-13)24-15-6-3-5-14(12-15)18(19,20)21/h3,5-7,9,11-12H,4,8,10H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide is sourced from PubChem (CID 109168255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).