1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide

C28H35BrN6O — CID 67026613

IUPAC1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2nc(-c3cc(NC4CCCCC4)ncc3Br)cc3cnccc23)CC1
InChIInChI=1S/C28H35BrN6O/c1-2-11-31-28(36)19-9-13-35(14-10-19)27-22-8-12-30-17-20(22)15-25(34-27)23-16-26(32-18-24(23)29)33-21-6-4-3-5-7-21/h8,12,15-19,21H,2-7,9-11,13-14H2,1H3,(H,31,36)(H,32,33)
InChIKeyVZKPQOOWGDZEBP-UHFFFAOYSA-N
MW551.53 g/mol
LogP5.94
Rot. Bonds7

About 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide

1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide (PubChem CID 67026613) has the molecular formula C28H35BrN6O and a molecular weight of 551.53 g/mol. Its IUPAC name is 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide
PubChem CID67026613
Molecular FormulaC28H35BrN6O
Molecular Weight551.53 g/mol
Exact Mass550.21
IUPAC Name1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2nc(-c3cc(NC4CCCCC4)ncc3Br)cc3cnccc23)CC1
InChIInChI=1S/C28H35BrN6O/c1-2-11-31-28(36)19-9-13-35(14-10-19)27-22-8-12-30-17-20(22)15-25(34-27)23-16-26(32-18-24(23)29)33-21-6-4-3-5-7-21/h8,12,15-19,21H,2-7,9-11,13-14H2,1H3,(H,31,36)(H,32,33)
InChIKeyVZKPQOOWGDZEBP-UHFFFAOYSA-N
XLogP5.94
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.53
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide (CID 67026613) is 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(c2nc(-c3cc(NC4CCCCC4)ncc3Br)cc3cnccc23)CC1.
What is the InChIKey of 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide?
The InChIKey is VZKPQOOWGDZEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35BrN6O/c1-2-11-31-28(36)19-9-13-35(14-10-19)27-22-8-12-30-17-20(22)15-25(34-27)23-16-26(32-18-24(23)29)33-21-6-4-3-5-7-21/h8,12,15-19,21H,2-7,9-11,13-14H2,1H3,(H,31,36)(H,32,33).
What are the key properties of 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide?
1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide has a molecular weight of 551.53 g/mol, XLogP of 5.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 67026613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).