[1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone

C29H36N6O2 — CID 67026805

IUPAC[1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1)N1CCOCC1
InChIInChI=1S/C29H36N6O2/c36-29(35-14-16-37-17-15-35)21-8-12-34(13-9-21)28-25-7-10-30-20-23(25)18-26(33-28)22-6-11-31-27(19-22)32-24-4-2-1-3-5-24/h6-7,10-11,18-21,24H,1-5,8-9,12-17H2,(H,31,32)
InChIKeyYNTINAMRVFEXGN-UHFFFAOYSA-N
MW500.65 g/mol
LogP4.51
Rot. Bonds5

About [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 67026805) has the molecular formula C29H36N6O2 and a molecular weight of 500.65 g/mol. Its IUPAC name is [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID67026805
Molecular FormulaC29H36N6O2
Molecular Weight500.65 g/mol
Exact Mass500.29
IUPAC Name[1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1)N1CCOCC1
InChIInChI=1S/C29H36N6O2/c36-29(35-14-16-37-17-15-35)21-8-12-34(13-9-21)28-25-7-10-30-20-23(25)18-26(33-28)22-6-11-31-27(19-22)32-24-4-2-1-3-5-24/h6-7,10-11,18-21,24H,1-5,8-9,12-17H2,(H,31,32)
InChIKeyYNTINAMRVFEXGN-UHFFFAOYSA-N
XLogP4.51
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.65
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 67026805) is [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1)N1CCOCC1.
What is the InChIKey of [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is YNTINAMRVFEXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O2/c36-29(35-14-16-37-17-15-35)21-8-12-34(13-9-21)28-25-7-10-30-20-23(25)18-26(33-28)22-6-11-31-27(19-22)32-24-4-2-1-3-5-24/h6-7,10-11,18-21,24H,1-5,8-9,12-17H2,(H,31,32).
What are the key properties of [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 500.65 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 67026805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).