N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide

C16H18F3N5O — CID 109277899

IUPACN-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C16H18F3N5O/c1-24(2)7-3-6-20-16(25)12-8-22-13(9-21-12)23-11-5-4-10(17)14(18)15(11)19/h4-5,8-9H,3,6-7H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyQPOAVPXFVXCBLP-UHFFFAOYSA-N
MW353.35 g/mol
LogP2.32
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide

N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide (PubChem CID 109277899) has the molecular formula C16H18F3N5O and a molecular weight of 353.35 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
PubChem CID109277899
Molecular FormulaC16H18F3N5O
Molecular Weight353.35 g/mol
Exact Mass353.15
IUPAC NameN-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(Nc2ccc(F)c(F)c2F)cn1
InChIInChI=1S/C16H18F3N5O/c1-24(2)7-3-6-20-16(25)12-8-22-13(9-21-12)23-11-5-4-10(17)14(18)15(11)19/h4-5,8-9H,3,6-7H2,1-2H3,(H,20,25)(H,22,23)
InChIKeyQPOAVPXFVXCBLP-UHFFFAOYSA-N
XLogP2.32
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-(2,4-difluoroanilino)-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277881
N-prop-2-enyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109272138
N,N-dipropyl-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109289002
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
N-[(4-methoxyphenyl)methyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109282478
N-[3-(dimethylamino)propyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109277809
5-(4-chloroanilino)-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277199
N-[3-(dimethylamino)propyl]-5-(4-methoxyanilino)pyrazine-2-carboxamide
CID 109277841
1-N-[3-(dimethylamino)propyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046073
N-(4-methylphenyl)-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide
CID 109290106
5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide
CID 109288090

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide (CID 109277899) is N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide is CN(C)CCCNC(=O)c1cnc(Nc2ccc(F)c(F)c2F)cn1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
The InChIKey is QPOAVPXFVXCBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O/c1-24(2)7-3-6-20-16(25)12-8-22-13(9-21-12)23-11-5-4-10(17)14(18)15(11)19/h4-5,8-9H,3,6-7H2,1-2H3,(H,20,25)(H,22,23).
What are the key properties of N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide?
N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide has a molecular weight of 353.35 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(2,3,4-trifluoroanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109277899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).