[(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C22H25N5O2 — CID 92611238

IUPAC[(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCOCCNc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)cc2ncccc12
InChIInChI=1S/C22H25N5O2/c1-29-12-10-25-21-18-7-3-9-24-20(18)13-19(26-21)17-6-4-11-27(15-17)22(28)16-5-2-8-23-14-16/h2-3,5,7-9,13-14,17H,4,6,10-12,15H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyQXAHVTMCIQIMJE-QGZVFWFLSA-N
MW391.48 g/mol
LogP3.10
Rot. Bonds6

About [(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 92611238) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is [(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID92611238
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name[(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCOCCNc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)cc2ncccc12
InChIInChI=1S/C22H25N5O2/c1-29-12-10-25-21-18-7-3-9-24-20(18)13-19(26-21)17-6-4-11-27(15-17)22(28)16-5-2-8-23-14-16/h2-3,5,7-9,13-14,17H,4,6,10-12,15H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyQXAHVTMCIQIMJE-QGZVFWFLSA-N
XLogP3.10
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 53192150
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
[3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone
CID 126826318
[(3S)-3-[6-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822293
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95824096
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545
[3-[6-(methylamino)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 110239936
pyridin-3-yl-[3-(2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110214397
[(3S)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822301
[(3R)-3-[6-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95822300
[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809449
N-[4-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 95828395

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 92611238) is [(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone is COCCNc1nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)cc2ncccc12.
What is the InChIKey of [(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is QXAHVTMCIQIMJE-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-29-12-10-25-21-18-7-3-9-24-20(18)13-19(26-21)17-6-4-11-27(15-17)22(28)16-5-2-8-23-14-16/h2-3,5,7-9,13-14,17H,4,6,10-12,15H2,1H3,(H,25,26)/t17-/m1/s1.
What are the key properties of [(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 391.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[5-(2-methoxyethylamino)-1,6-naphthyridin-7-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 92611238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).