1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide

C22H24ClN5O2 — CID 87241865

IUPAC1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)cc3cnccc23)CC1
InChIInChI=1S/C22H24ClN5O2/c1-30-11-8-26-22(29)15-4-9-28(10-5-15)21-18-3-6-24-14-17(18)12-19(27-21)16-2-7-25-20(23)13-16/h2-3,6-7,12-15H,4-5,8-11H2,1H3,(H,26,29)
InChIKeyAYMGWXXEFNZJOK-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.32
Rot. Bonds6

About 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide

1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 87241865) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID87241865
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)cc3cnccc23)CC1
InChIInChI=1S/C22H24ClN5O2/c1-30-11-8-26-22(29)15-4-9-28(10-5-15)21-18-3-6-24-14-17(18)12-19(27-21)16-2-7-25-20(23)13-16/h2-3,6-7,12-15H,4-5,8-11H2,1H3,(H,26,29)
InChIKeyAYMGWXXEFNZJOK-UHFFFAOYSA-N
XLogP3.32
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
CID 46899714
[(4S)-4-[[1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]piperidine-4-carbonyl]amino]pyrrolidin-2-yl] 2,2-dimethylpropanoate
CID 175264625
1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 67026535
1-[3-[2-(butan-2-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxylic acid
CID 123151361
1-[3-[3-chloro-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 67026529
1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-piperidin-1-ylpiperidine-4-carboxamide
CID 67026493
[1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 67026805
tert-butyl 4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazine-1-carboxylate
CID 46899900
1-(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 139014359
N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide
CID 133373804
N-[2-[4-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperazin-1-yl]-2-oxoethyl]acetamide
CID 67026560
1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide
CID 47918136

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide (CID 87241865) is 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(c2nc(-c3ccnc(Cl)c3)cc3cnccc23)CC1.
What is the InChIKey of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is AYMGWXXEFNZJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-30-11-8-26-22(29)15-4-9-28(10-5-15)21-18-3-6-24-14-17(18)12-19(27-21)16-2-7-25-20(23)13-16/h2-3,6-7,12-15H,4-5,8-11H2,1H3,(H,26,29).
What are the key properties of 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide?
1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 425.92 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-4-pyridinyl)-2,6-naphthyridin-1-yl]-N-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 87241865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).