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

C23H23N7O — CID 138590650

IUPAC2-(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
SMILES[2H]C1([2H])N(c2cc(C(=O)Nc3cc4cc(-c5cncn5C)ncc4cn3)ccn2)C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C23H23N7O/c1-29-15-24-14-20(29)19-9-17-10-21(27-13-18(17)12-26-19)28-23(31)16-5-6-25-22(11-16)30-7-3-2-4-8-30/h5-6,9-15H,2-4,7-8H2,1H3,(H,27,28,31)/i2D2,3D2,4D2,7D2,8D2
InChIKeyPWKYYWRTDNYZCC-CYHVTVHMSA-N
MW423.55 g/mol
LogP3.67
Rot. Bonds4

About 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

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 (PubChem CID 138590650) has the molecular formula C23H23N7O and a molecular weight of 423.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID138590650
Molecular FormulaC23H23N7O
Molecular Weight423.55 g/mol
Exact Mass423.26
IUPAC Name2-(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
SMILES[2H]C1([2H])N(c2cc(C(=O)Nc3cc4cc(-c5cncn5C)ncc4cn3)ccn2)C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/C23H23N7O/c1-29-15-24-14-20(29)19-9-17-10-21(27-13-18(17)12-26-19)28-23(31)16-5-6-25-22(11-16)30-7-3-2-4-8-30/h5-6,9-15H,2-4,7-8H2,1H3,(H,27,28,31)/i2D2,3D2,4D2,7D2,8D2
InChIKeyPWKYYWRTDNYZCC-CYHVTVHMSA-N
XLogP3.67
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138587297
2,3,5,6-tetradeuterio-N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]-4-(trideuteriomethoxy)benzamide
CID 138589992
2-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590044
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138588886
N-[6-(1-methyltriazol-4-yl)-2,7-naphthyridin-3-yl]-2-[4-(trideuteriomethyl)piperazin-1-yl]pyridine-4-carboxamide
CID 138591723
2-(3,3-difluoroazetidin-1-yl)-N-[6-(3-methylimidazol-4-yl)cinnolin-3-yl]pyridine-4-carboxamide
CID 138587728
(2R)-N-[6-(3-methylimidazol-4-yl)-2,7-naphthyridin-3-yl]oxolane-2-carboxamide
CID 138588775
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
4-methyl-N-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]benzamide
CID 155295664
2-[4-(2-methylpropyl)piperazin-1-yl]-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138589218
2-(3-aminoazetidin-1-yl)-N-[6-[2-(dimethylamino)-1,3-thiazol-5-yl]-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138591338
2-(dimethylamino)-N-[6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]pyridine-4-carboxamide
CID 138590113

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]C1([2H])N(c2cc(C(=O)Nc3cc4cc(-c5cncn5C)ncc4cn3)ccn2)C([2H])([2H])C([2H])([2H])C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 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?
The InChIKey is PWKYYWRTDNYZCC-CYHVTVHMSA-N. The full InChI is InChI=1S/C23H23N7O/c1-29-15-24-14-20(29)19-9-17-10-21(27-13-18(17)12-26-19)28-23(31)16-5-6-25-22(11-16)30-7-3-2-4-8-30/h5-6,9-15H,2-4,7-8H2,1H3,(H,27,28,31)/i2D2,3D2,4D2,7D2,8D2.
What are the key properties of 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?
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 has a molecular weight of 423.55 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138590650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).