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

C25H30N6O — CID 46900232

IUPAC1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C25H30N6O/c26-24(32)17-8-12-31(13-9-17)25-21-7-10-27-16-19(21)14-22(30-25)18-6-11-28-23(15-18)29-20-4-2-1-3-5-20/h6-7,10-11,14-17,20H,1-5,8-9,12-13H2,(H2,26,32)(H,28,29)
InChIKeyLBWUWJYNGRWEPT-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.14
Rot. Bonds5

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

1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide (PubChem CID 46900232) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
PubChem CID46900232
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C25H30N6O/c26-24(32)17-8-12-31(13-9-17)25-21-7-10-27-16-19(21)14-22(30-25)18-6-11-28-23(15-18)29-20-4-2-1-3-5-20/h6-7,10-11,14-17,20H,1-5,8-9,12-13H2,(H2,26,32)(H,28,29)
InChIKeyLBWUWJYNGRWEPT-UHFFFAOYSA-N
XLogP4.14
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide (CID 46900232) is 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1.
What is the InChIKey of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
The InChIKey is LBWUWJYNGRWEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c26-24(32)17-8-12-31(13-9-17)25-21-7-10-27-16-19(21)14-22(30-25)18-6-11-28-23(15-18)29-20-4-2-1-3-5-20/h6-7,10-11,14-17,20H,1-5,8-9,12-13H2,(H2,26,32)(H,28,29).
What are the key properties of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide?
1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide has a molecular weight of 430.56 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 46900232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).