6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide

C24H24BrN5O2 — CID 55701075

IUPAC6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(N2CCCC(C(N)=O)C2)nc1
InChIInChI=1S/C24H24BrN5O2/c1-15-20(8-9-21(28-15)16-4-2-6-18(25)12-16)24(32)29-19-7-10-22(27-13-19)30-11-3-5-17(14-30)23(26)31/h2,4,6-10,12-13,17H,3,5,11,14H2,1H3,(H2,26,31)(H,29,32)
InChIKeyRQQWNHQXJVXWRH-UHFFFAOYSA-N
MW494.39 g/mol
LogP4.17
Rot. Bonds5

About 6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide

6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide (PubChem CID 55701075) has the molecular formula C24H24BrN5O2 and a molecular weight of 494.39 g/mol. Its IUPAC name is 6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide
PubChem CID55701075
Molecular FormulaC24H24BrN5O2
Molecular Weight494.39 g/mol
Exact Mass493.11
IUPAC Name6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide
SMILESCc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(N2CCCC(C(N)=O)C2)nc1
InChIInChI=1S/C24H24BrN5O2/c1-15-20(8-9-21(28-15)16-4-2-6-18(25)12-16)24(32)29-19-7-10-22(27-13-19)30-11-3-5-17(14-30)23(26)31/h2,4,6-10,12-13,17H,3,5,11,14H2,1H3,(H2,26,31)(H,29,32)
InChIKeyRQQWNHQXJVXWRH-UHFFFAOYSA-N
XLogP4.17
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.39
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55701198
6-(3-bromophenyl)-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 30822082
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55970967
1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86883409
1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86988880
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55970593
1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971223
1-[5-[(5-methylsulfanyl-2-nitrobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971344
6-(3-bromophenyl)-2-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 43038503
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide (CID 55701075) is 6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide is Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(N2CCCC(C(N)=O)C2)nc1.
What is the InChIKey of 6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide?
The InChIKey is RQQWNHQXJVXWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN5O2/c1-15-20(8-9-21(28-15)16-4-2-6-18(25)12-16)24(32)29-19-7-10-22(27-13-19)30-11-3-5-17(14-30)23(26)31/h2,4,6-10,12-13,17H,3,5,11,14H2,1H3,(H2,26,31)(H,29,32).
What are the key properties of 6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide?
6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide has a molecular weight of 494.39 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 55701075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).