1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide

C19H24BrN3O2 — CID 55930745

IUPAC1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCCN(C(=O)C2CC3CCC2C3)C1
InChIInChI=1S/C19H24BrN3O2/c20-15-5-6-17(21-10-15)22-18(24)14-2-1-7-23(11-14)19(25)16-9-12-3-4-13(16)8-12/h5-6,10,12-14,16H,1-4,7-9,11H2,(H,21,22,24)
InChIKeyUEMQRVCUELGFAY-UHFFFAOYSA-N
MW406.32 g/mol
LogP3.46
Rot. Bonds3

About 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide

1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55930745) has the molecular formula C19H24BrN3O2 and a molecular weight of 406.32 g/mol. Its IUPAC name is 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55930745
Molecular FormulaC19H24BrN3O2
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCCN(C(=O)C2CC3CCC2C3)C1
InChIInChI=1S/C19H24BrN3O2/c20-15-5-6-17(21-10-15)22-18(24)14-2-1-7-23(11-14)19(25)16-9-12-3-4-13(16)8-12/h5-6,10,12-14,16H,1-4,7-9,11H2,(H,21,22,24)
InChIKeyUEMQRVCUELGFAY-UHFFFAOYSA-N
XLogP3.46
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
CID 55992546
N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide
CID 119856395
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119856404
(3S)-N-(5-bromo-2-pyridinyl)-1-(3-cyclopentylpropanoyl)piperidine-3-carboxamide
CID 94134844
methyl 4-[(3S)-3-[(5-bromo-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]benzoate
CID 51960685
(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 100569886
(3S)-N-(5-bromo-2-pyridinyl)-1-[(3S)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 95345085
(3S)-N-(5-bromo-2-pyridinyl)-1-[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 95345083
[(3S)-1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 129377734
N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 55992804
N-(5-bromo-2-pyridinyl)-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 55816046

Frequently Asked Questions

What is the IUPAC name of 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide (CID 55930745) is 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCCN(C(=O)C2CC3CCC2C3)C1.
What is the InChIKey of 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is UEMQRVCUELGFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O2/c20-15-5-6-17(21-10-15)22-18(24)14-2-1-7-23(11-14)19(25)16-9-12-3-4-13(16)8-12/h5-6,10,12-14,16H,1-4,7-9,11H2,(H,21,22,24).
What are the key properties of 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide?
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 406.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55930745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).