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

C28H35BrN6O — CID 67026612

IUPAC1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2nc(-c3cc(NC4CCCCC4)ncc3Br)cc3cnccc23)CC1
InChIInChI=1S/C28H35BrN6O/c1-18(2)32-28(36)19-9-12-35(13-10-19)27-22-8-11-30-16-20(22)14-25(34-27)23-15-26(31-17-24(23)29)33-21-6-4-3-5-7-21/h8,11,14-19,21H,3-7,9-10,12-13H2,1-2H3,(H,31,33)(H,32,36)
InChIKeyOJZHUBRSHSVGIR-UHFFFAOYSA-N
MW551.53 g/mol
LogP5.94
Rot. Bonds6

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

1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 67026612) 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-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID67026612
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-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(c2nc(-c3cc(NC4CCCCC4)ncc3Br)cc3cnccc23)CC1
InChIInChI=1S/C28H35BrN6O/c1-18(2)32-28(36)19-9-12-35(13-10-19)27-22-8-11-30-16-20(22)14-25(34-27)23-15-26(31-17-24(23)29)33-21-6-4-3-5-7-21/h8,11,14-19,21H,3-7,9-10,12-13H2,1-2H3,(H,31,33)(H,32,36)
InChIKeyOJZHUBRSHSVGIR-UHFFFAOYSA-N
XLogP5.94
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

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

Analyze 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide with MolForge

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Related Compounds

Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic Acid Piperidin-4-ylamide
CID 46900230
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)amide
CID 46900235
1-{3-[2-(Tetrahydropyran-4-ylamino)pyridin-4-yl][2,6]naphthyridin-1-yl}piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)-amide
CID 46900891
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
N-(8-amino-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 135345433
Cyclohexyl-{4-[1-(4-methylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 25020308
4-(3-Pyridin-4-yl-[2,6]naphthyridin-1-yl)piperazin-2-one
CID 25113050
5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl-amino)-pyridin-3-yl]-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305631
Cyclohexyl-{4-[1-(4-isobutylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 46899899
Cyclohexyl-{4-[1-((cis-3,5-dimethylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 46899903
Cyclohexyl-{4-[1-(4-cyclopropylmethylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 46900066

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide (CID 67026612) is 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=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-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is OJZHUBRSHSVGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35BrN6O/c1-18(2)32-28(36)19-9-12-35(13-10-19)27-22-8-11-30-16-20(22)14-25(34-27)23-15-26(31-17-24(23)29)33-21-6-4-3-5-7-21/h8,11,14-19,21H,3-7,9-10,12-13H2,1-2H3,(H,31,33)(H,32,36).
What are the key properties of 1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide?
1-[3-[5-bromo-2-(cyclohexylamino)-4-pyridinyl]-2,6-naphthyridin-1-yl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 551.53 g/mol, XLogP of 5.94, 6 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-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 67026612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).