N-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide

C28H36N6O2 — CID 46900388

IUPACN-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C28H36N6O2/c1-19(2)17-31-28(35)20-5-11-34(12-6-20)27-24-4-9-29-18-22(24)15-25(33-27)21-3-10-30-26(16-21)32-23-7-13-36-14-8-23/h3-4,9-10,15-16,18-20,23H,5-8,11-14,17H2,1-2H3,(H,30,32)(H,31,35)
InChIKeyXJHFJRVRIHZMMY-UHFFFAOYSA-N
MW488.64 g/mol
LogP4.27
Rot. Bonds7

About N-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide

N-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide (PubChem CID 46900388) has the molecular formula C28H36N6O2 and a molecular weight of 488.64 g/mol. Its IUPAC name is N-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
PubChem CID46900388
Molecular FormulaC28H36N6O2
Molecular Weight488.64 g/mol
Exact Mass488.29
IUPAC NameN-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
SMILESCC(C)CNC(=O)C1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C28H36N6O2/c1-19(2)17-31-28(35)20-5-11-34(12-6-20)27-24-4-9-29-18-22(24)15-25(33-27)21-3-10-30-26(16-21)32-23-7-13-36-14-8-23/h3-4,9-10,15-16,18-20,23H,5-8,11-14,17H2,1-2H3,(H,30,32)(H,31,35)
InChIKeyXJHFJRVRIHZMMY-UHFFFAOYSA-N
XLogP4.27
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.64
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 25020250
CID 25020250
CID 10026044
CID 10026044
CID 46899901
CID 46899901
CID 46899902
CID 46899902
CID 46900230
CID 46900230
CID 46900235
CID 46900235
CID 46900891
CID 46900891
CID 46901056
CID 46901056
CID 46901385
CID 46901385
CID 46927131
CID 46927131
CID 46927132
CID 46927132
CID 135345433
CID 135345433

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide (CID 46900388) is N-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide is CC(C)CNC(=O)C1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1.
What is the InChIKey of N-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
The InChIKey is XJHFJRVRIHZMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O2/c1-19(2)17-31-28(35)20-5-11-34(12-6-20)27-24-4-9-29-18-22(24)15-25(33-27)21-3-10-30-26(16-21)32-23-7-13-36-14-8-23/h3-4,9-10,15-16,18-20,23H,5-8,11-14,17H2,1-2H3,(H,30,32)(H,31,35).
What are the key properties of N-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
N-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide has a molecular weight of 488.64 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1-[3-[2-(oxan-4-ylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46900388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).