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

C26H32N6O — CID 46900234

IUPAC1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C26H32N6O/c1-27-26(33)18-9-13-32(14-10-18)25-22-8-11-28-17-20(22)15-23(31-25)19-7-12-29-24(16-19)30-21-5-3-2-4-6-21/h7-8,11-12,15-18,21H,2-6,9-10,13-14H2,1H3,(H,27,33)(H,29,30)
InChIKeyYWZHJKWKWVSCSO-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.40
Rot. Bonds5

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

1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide (PubChem CID 46900234) has the molecular formula C26H32N6O and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide
PubChem CID46900234
Molecular FormulaC26H32N6O
Molecular Weight444.58 g/mol
Exact Mass444.26
IUPAC Name1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C26H32N6O/c1-27-26(33)18-9-13-32(14-10-18)25-22-8-11-28-17-20(22)15-23(31-25)19-7-12-29-24(16-19)30-21-5-3-2-4-6-21/h7-8,11-12,15-18,21H,2-6,9-10,13-14H2,1H3,(H,27,33)(H,29,30)
InChIKeyYWZHJKWKWVSCSO-UHFFFAOYSA-N
XLogP4.40
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.40
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]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide (CID 46900234) is 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1.
What is the InChIKey of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide?
The InChIKey is YWZHJKWKWVSCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O/c1-27-26(33)18-9-13-32(14-10-18)25-22-8-11-28-17-20(22)15-23(31-25)19-7-12-29-24(16-19)30-21-5-3-2-4-6-21/h7-8,11-12,15-18,21H,2-6,9-10,13-14H2,1H3,(H,27,33)(H,29,30).
What are the key properties of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide?
1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-methylpiperidine-4-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.40, 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]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 46900234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).