1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide

C22H27N7O2 — CID 138592093

IUPAC1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)C4CCN(CC5(C)COC5)CC4)cc3n2)nn1
InChIInChI=1S/C22H27N7O2/c1-22(13-31-14-22)12-29-7-5-15(6-8-29)21(30)25-20-9-18-16(10-23-20)3-4-17(24-18)19-11-28(2)27-26-19/h3-4,9-11,15H,5-8,12-14H2,1-2H3,(H,23,25,30)
InChIKeyJAVDCWCDCVXWKR-UHFFFAOYSA-N
MW421.51 g/mol
LogP2.11
Rot. Bonds5

About 1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide

1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide (PubChem CID 138592093) has the molecular formula C22H27N7O2 and a molecular weight of 421.51 g/mol. Its IUPAC name is 1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
PubChem CID138592093
Molecular FormulaC22H27N7O2
Molecular Weight421.51 g/mol
Exact Mass421.22
IUPAC Name1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
SMILESCn1cc(-c2ccc3cnc(NC(=O)C4CCN(CC5(C)COC5)CC4)cc3n2)nn1
InChIInChI=1S/C22H27N7O2/c1-22(13-31-14-22)12-29-7-5-15(6-8-29)21(30)25-20-9-18-16(10-23-20)3-4-17(24-18)19-11-28(2)27-26-19/h3-4,9-11,15H,5-8,12-14H2,1-2H3,(H,23,25,30)
InChIKeyJAVDCWCDCVXWKR-UHFFFAOYSA-N
XLogP2.11
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4,4-difluoro-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138588625
2-(7-azabicyclo[2.2.1]heptan-7-yl)-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]acetamide
CID 138590656
N-[6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]isoquinolin-3-yl]-1-[(3-methyloxetan-3-yl)methyl]piperidine-4-carboxamide
CID 166702478
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,6-naphthyridin-7-yl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 138588276
1-(2-fluoropropyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide
CID 138586986
N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 138587820
N-[2-(2-methylpyrazol-3-yl)-1,6-naphthyridin-7-yl]-1-(3,3,3-trifluoropropyl)piperidine-4-carboxamide
CID 138587815
4-(hydroxymethyl)-N-[2-(1-methylpyrazol-4-yl)-1,6-naphthyridin-7-yl]cyclohexane-1-carboxamide
CID 138590394
N-[7-(1-methyltriazol-4-yl)quinazolin-2-yl]-1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxamide
CID 138590403
2-N-methyl-5-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]pyridine-2,5-dicarboxamide
CID 138591714
2-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 158912241
N-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]-4-morpholin-4-ylcyclohexane-1-carboxamide
CID 138588296

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide (CID 138592093) is 1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide is Cn1cc(-c2ccc3cnc(NC(=O)C4CCN(CC5(C)COC5)CC4)cc3n2)nn1.
What is the InChIKey of 1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide?
The InChIKey is JAVDCWCDCVXWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O2/c1-22(13-31-14-22)12-29-7-5-15(6-8-29)21(30)25-20-9-18-16(10-23-20)3-4-17(24-18)19-11-28(2)27-26-19/h3-4,9-11,15H,5-8,12-14H2,1-2H3,(H,23,25,30).
What are the key properties of 1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide?
1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide has a molecular weight of 421.51 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyloxetan-3-yl)methyl]-N-[2-(1-methyltriazol-4-yl)-1,6-naphthyridin-7-yl]piperidine-4-carboxamide is sourced from PubChem (CID 138592093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).