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

C30H40N6O — CID 67026535

IUPAC1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
SMILESCC(C)(C)CNC(=O)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C30H40N6O/c1-30(2,3)20-33-29(37)21-11-15-36(16-12-21)28-25-10-13-31-19-23(25)17-26(35-28)22-9-14-32-27(18-22)34-24-7-5-4-6-8-24/h9-10,13-14,17-19,21,24H,4-8,11-12,15-16,20H2,1-3H3,(H,32,34)(H,33,37)
InChIKeyHVXGBUOSHIAWRX-UHFFFAOYSA-N
MW500.69 g/mol
LogP5.82
Rot. Bonds6

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

1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2,2-dimethylpropyl)piperidine-4-carboxamide (PubChem CID 67026535) has the molecular formula C30H40N6O and a molecular weight of 500.69 g/mol. Its IUPAC name is 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2,2-dimethylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
PubChem CID67026535
Molecular FormulaC30H40N6O
Molecular Weight500.69 g/mol
Exact Mass500.33
IUPAC Name1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
SMILESCC(C)(C)CNC(=O)C1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1
InChIInChI=1S/C30H40N6O/c1-30(2,3)20-33-29(37)21-11-15-36(16-12-21)28-25-10-13-31-19-23(25)17-26(35-28)22-9-14-32-27(18-22)34-24-7-5-4-6-8-24/h9-10,13-14,17-19,21,24H,4-8,11-12,15-16,20H2,1-3H3,(H,32,34)(H,33,37)
InChIKeyHVXGBUOSHIAWRX-UHFFFAOYSA-N
XLogP5.82
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.69
LogP ≤ 55.82
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-(2,2-dimethylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2,2-dimethylpropyl)piperidine-4-carboxamide (CID 67026535) is 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2,2-dimethylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2,2-dimethylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2,2-dimethylpropyl)piperidine-4-carboxamide is CC(C)(C)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-(2,2-dimethylpropyl)piperidine-4-carboxamide?
The InChIKey is HVXGBUOSHIAWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O/c1-30(2,3)20-33-29(37)21-11-15-36(16-12-21)28-25-10-13-31-19-23(25)17-26(35-28)22-9-14-32-27(18-22)34-24-7-5-4-6-8-24/h9-10,13-14,17-19,21,24H,4-8,11-12,15-16,20H2,1-3H3,(H,32,34)(H,33,37).
What are the key properties of 1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2,2-dimethylpropyl)piperidine-4-carboxamide?
1-[3-[2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-(2,2-dimethylpropyl)piperidine-4-carboxamide has a molecular weight of 500.69 g/mol, XLogP of 5.82, 6 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-(2,2-dimethylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 67026535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).