1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide

C18H19BrN4O2 — CID 55967635

IUPAC1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)c3ccccc3Br)cn2)C1
InChIInChI=1S/C18H19BrN4O2/c19-15-6-2-1-5-14(15)18(25)22-13-7-8-16(21-10-13)23-9-3-4-12(11-23)17(20)24/h1-2,5-8,10,12H,3-4,9,11H2,(H2,20,24)(H,22,25)
InChIKeyHLPULANOOSTRLV-UHFFFAOYSA-N
MW403.28 g/mol
LogP2.80
Rot. Bonds4

About 1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55967635) has the molecular formula C18H19BrN4O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is 1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55967635
Molecular FormulaC18H19BrN4O2
Molecular Weight403.28 g/mol
Exact Mass402.07
IUPAC Name1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)c3ccccc3Br)cn2)C1
InChIInChI=1S/C18H19BrN4O2/c19-15-6-2-1-5-14(15)18(25)22-13-7-8-16(21-10-13)23-9-3-4-12(11-23)17(20)24/h1-2,5-8,10,12H,3-4,9,11H2,(H2,20,24)(H,22,25)
InChIKeyHLPULANOOSTRLV-UHFFFAOYSA-N
XLogP2.80
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86883409
1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55970593
6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 55701075
1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701002
1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971223
1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86988880
2-bromo-N-[6-(4-formylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 113011122
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55968536
1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971095
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55701198
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55967635) is 1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)c3ccccc3Br)cn2)C1.
What is the InChIKey of 1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is HLPULANOOSTRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2/c19-15-6-2-1-5-14(15)18(25)22-13-7-8-16(21-10-13)23-9-3-4-12(11-23)17(20)24/h1-2,5-8,10,12H,3-4,9,11H2,(H2,20,24)(H,22,25).
What are the key properties of 1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 403.28 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55967635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).