N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide

C22H23N9O — CID 138591723

IUPACN-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide
SMILES[2H]C([2H])([2H])N1CCN(c2cc(C(=O)Nc3cc4cc(-c5cn(C)nn5)ncc4cn3)ccn2)CC1
InChIInChI=1S/C22H23N9O/c1-29-5-7-31(8-6-29)21-11-15(3-4-23-21)22(32)26-20-10-16-9-18(19-14-30(2)28-27-19)24-12-17(16)13-25-20/h3-4,9-14H,5-8H2,1-2H3,(H,25,26,32)/i1D3
InChIKeyFJXRDTMDTMMDOM-FIBGUPNXSA-N
MW432.51 g/mol
LogP1.82
Rot. Bonds5

About N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide

N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide (PubChem CID 138591723) has the molecular formula C22H23N9O and a molecular weight of 432.51 g/mol. Its IUPAC name is N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide
PubChem CID138591723
Molecular FormulaC22H23N9O
Molecular Weight432.51 g/mol
Exact Mass432.22
IUPAC NameN-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide
SMILES[2H]C([2H])([2H])N1CCN(c2cc(C(=O)Nc3cc4cc(-c5cn(C)nn5)ncc4cn3)ccn2)CC1
InChIInChI=1S/C22H23N9O/c1-29-5-7-31(8-6-29)21-11-15(3-4-23-21)22(32)26-20-10-16-9-18(19-14-30(2)28-27-19)24-12-17(16)13-25-20/h3-4,9-14H,5-8H2,1-2H3,(H,25,26,32)/i1D3
InChIKeyFJXRDTMDTMMDOM-FIBGUPNXSA-N
XLogP1.82
TPSA104.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044
2-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138586731
N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138587297
2-[4-[6-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138589048
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138589218
2-[4,4-bis(trideuteriomethyl)piperazin-4-ium-1-yl]-N-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138589569
2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrrolo[2,3-c]pyridin-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590424
1-[2-[4,4-bis(trideuteriomethyl)piperazin-4-ium-1-yl]-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]ethanone
CID 162238500
2-[4-(deuteriomethyl)piperazin-1-yl]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 175806566
3-methyl-5-N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-2,5-dicarboxamide
CID 138589380
2-(4-methylpiperazin-1-yl)-N-[3-(1-methylpyrazol-3-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138587897
2-(2,2,3,3,4,4,5,5,6,6-decadeuteriopiperidin-1-yl)-N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590650

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide (CID 138591723) is N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide is [2H]C([2H])([2H])N1CCN(c2cc(C(=O)Nc3cc4cc(-c5cn(C)nn5)ncc4cn3)ccn2)CC1.
What is the InChIKey of N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide?
The InChIKey is FJXRDTMDTMMDOM-FIBGUPNXSA-N. The full InChI is InChI=1S/C22H23N9O/c1-29-5-7-31(8-6-29)21-11-15(3-4-23-21)22(32)26-20-10-16-9-18(19-14-30(2)28-27-19)24-12-17(16)13-25-20/h3-4,9-14H,5-8H2,1-2H3,(H,25,26,32)/i1D3.
What are the key properties of N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide?
N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 138591723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).