N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide

C17H23BrN4O2 — CID 119856395

IUPACN-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCCN(C(=O)C2CCCNC2)C1
InChIInChI=1S/C17H23BrN4O2/c18-14-5-6-15(20-10-14)21-16(23)13-4-2-8-22(11-13)17(24)12-3-1-7-19-9-12/h5-6,10,12-13,19H,1-4,7-9,11H2,(H,20,21,23)
InChIKeyGKOLXVKDRRJHDU-UHFFFAOYSA-N
MW395.30 g/mol
LogP2.02
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide

N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide (PubChem CID 119856395) has the molecular formula C17H23BrN4O2 and a molecular weight of 395.30 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide
PubChem CID119856395
Molecular FormulaC17H23BrN4O2
Molecular Weight395.30 g/mol
Exact Mass394.10
IUPAC NameN-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cn1)C1CCCN(C(=O)C2CCCNC2)C1
InChIInChI=1S/C17H23BrN4O2/c18-14-5-6-15(20-10-14)21-16(23)13-4-2-8-22(11-13)17(24)12-3-1-7-19-9-12/h5-6,10,12-13,19H,1-4,7-9,11H2,(H,20,21,23)
InChIKeyGKOLXVKDRRJHDU-UHFFFAOYSA-N
XLogP2.02
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119856404
N-(5-bromo-2-pyridinyl)-1-(1-methylsulfonylpiperidine-3-carbonyl)piperidine-3-carboxamide
CID 55992546
(3R)-N-(5-bromo-2-pyridinyl)-1-(2-cyclopentylacetyl)piperidine-3-carboxamide
CID 95761683
1-(bicyclo[2.2.1]heptane-2-carbonyl)-N-(5-bromo-2-pyridinyl)piperidine-3-carboxamide
CID 55930745
N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120847820
(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)-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
N-(5-bromo-2-pyridinyl)-1-[2-(4-chlorophenyl)-2-methylpropanoyl]piperidine-3-carboxamide
CID 55992804
N-(5-bromo-2-pyridinyl)-1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-3-carboxamide
CID 55931379
N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
CID 119856489

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide (CID 119856395) is N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCCN(C(=O)C2CCCNC2)C1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is GKOLXVKDRRJHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O2/c18-14-5-6-15(20-10-14)21-16(23)13-4-2-8-22(11-13)17(24)12-3-1-7-19-9-12/h5-6,10,12-13,19H,1-4,7-9,11H2,(H,20,21,23).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide?
N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 395.30 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-(piperidine-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 119856395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).