5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

C18H19BrClN3O — CID 8590020

IUPAC5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cncc(Br)c1
InChIInChI=1S/C18H19BrClN3O/c19-15-9-14(10-21-11-15)18(24)22-17-5-7-23(8-6-17)12-13-1-3-16(20)4-2-13/h1-4,9-11,17H,5-8,12H2,(H,22,24)
InChIKeyKDIULTHNAGSYHA-UHFFFAOYSA-N
MW408.73 g/mol
LogP3.89
Rot. Bonds4

About 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide

5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 8590020) has the molecular formula C18H19BrClN3O and a molecular weight of 408.73 g/mol. Its IUPAC name is 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID8590020
Molecular FormulaC18H19BrClN3O
Molecular Weight408.73 g/mol
Exact Mass407.04
IUPAC Name5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cncc(Br)c1
InChIInChI=1S/C18H19BrClN3O/c19-15-9-14(10-21-11-15)18(24)22-17-5-7-23(8-6-17)12-13-1-3-16(20)4-2-13/h1-4,9-11,17H,5-8,12H2,(H,22,24)
InChIKeyKDIULTHNAGSYHA-UHFFFAOYSA-N
XLogP3.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.73
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-5-bromopyridine-3-carboxamide
CID 53498700
5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide
CID 46587440
4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide
CID 46438180
3-chloro-N-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 24964486
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 8590242
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55558162
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 18121095
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46643597

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 8590020) is 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is KDIULTHNAGSYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClN3O/c19-15-9-14(10-21-11-15)18(24)22-17-5-7-23(8-6-17)12-13-1-3-16(20)4-2-13/h1-4,9-11,17H,5-8,12H2,(H,22,24).
What are the key properties of 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 408.73 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 8590020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).