N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C20H21F3N8O3 — CID 167916252

IUPACN-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CCN(c2cc(NC(=O)c3cncc(-n4ccnn4)c3)ccn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H20N8O.C2HF3O2/c1-24-6-8-25(9-7-24)17-11-15(2-3-20-17)22-18(27)14-10-16(13-19-12-14)26-5-4-21-23-26;3-2(4,5)1(6)7/h2-5,10-13H,6-9H2,1H3,(H,20,22,27);(H,6,7)
InChIKeyFRFIKJABTBYJCX-UHFFFAOYSA-N
MW478.44 g/mol
LogP1.69
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 167916252) has the molecular formula C20H21F3N8O3 and a molecular weight of 478.44 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID167916252
Molecular FormulaC20H21F3N8O3
Molecular Weight478.44 g/mol
Exact Mass478.17
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN1CCN(c2cc(NC(=O)c3cncc(-n4ccnn4)c3)ccn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H20N8O.C2HF3O2/c1-24-6-8-25(9-7-24)17-11-15(2-3-20-17)22-18(27)14-10-16(13-19-12-14)26-5-4-21-23-26;3-2(4,5)1(6)7/h2-5,10-13H,6-9H2,1H3,(H,20,22,27);(H,6,7)
InChIKeyFRFIKJABTBYJCX-UHFFFAOYSA-N
XLogP1.69
TPSA129.37 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168617
N-[3-methoxy-4-(3-methoxypropoxy)phenyl]-5-(triazol-1-yl)pyridine-3-carboxamide
CID 126800452
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
N-(6-amino-3-pyridinyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119516349
5-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid;trihydrochloride
CID 90489074
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 120605603
5-fluoro-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]pyridine-3-carboxamide
CID 122299236
N-[2-[4-[benzyl(methyl)amino]piperidin-1-yl]-4-pyridinyl]-3-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 45480709
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
N-tert-butyl-2-(4-methylpiperazin-1-yl)pyridin-4-amine
CID 58709836
N-(3-methylphenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109238727
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 46979864

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 167916252) is N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is CN1CCN(c2cc(NC(=O)c3cncc(-n4ccnn4)c3)ccn2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FRFIKJABTBYJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O.C2HF3O2/c1-24-6-8-25(9-7-24)17-11-15(2-3-20-17)22-18(27)14-10-16(13-19-12-14)26-5-4-21-23-26;3-2(4,5)1(6)7/h2-5,10-13H,6-9H2,1H3,(H,20,22,27);(H,6,7).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 478.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-(triazol-1-yl)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167916252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).