5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide

C18H19BrN4O2 — CID 24632177

IUPAC5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C18H19BrN4O2/c19-14-8-13(10-21-11-14)18(25)22-15-9-12(17(20)24)4-5-16(15)23-6-2-1-3-7-23/h4-5,8-11H,1-3,6-7H2,(H2,20,24)(H,22,25)
InChIKeyNZTLWIWFVDHUPD-UHFFFAOYSA-N
MW403.28 g/mol
LogP3.19
Rot. Bonds4

About 5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide

5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide (PubChem CID 24632177) has the molecular formula C18H19BrN4O2 and a molecular weight of 403.28 g/mol. Its IUPAC name is 5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
PubChem CID24632177
Molecular FormulaC18H19BrN4O2
Molecular Weight403.28 g/mol
Exact Mass402.07
IUPAC Name5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cncc(Br)c2)c1
InChIInChI=1S/C18H19BrN4O2/c19-14-8-13(10-21-11-14)18(25)22-15-9-12(17(20)24)4-5-16(15)23-6-2-1-3-7-23/h4-5,8-11H,1-3,6-7H2,(H2,20,24)(H,22,25)
InChIKeyNZTLWIWFVDHUPD-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyrazine-2-carboxamide
CID 88852610
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-(5-amino-2-morpholin-4-ylphenyl)-5-bromopyridine-3-carboxamide
CID 91675315
5-bromo-N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)thiophene-2-carboxamide
CID 41269492
3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-4-piperidin-1-ylbenzamide
CID 51112972
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 30460786
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-2,4-dimethylbenzamide
CID 30218966
4-piperidin-1-yl-3-[[3-(pyridin-3-ylmethoxy)benzoyl]amino]benzamide
CID 55910186
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)quinoline-2-carboxamide
CID 17467965
ethyl N-[3-[(5-carbamoyl-2-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]carbamate
CID 46700228
4-bromo-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092341
N-(5-carbamoyl-2-pyrrolidin-1-ylphenyl)-5-cyclohexylfuran-2-carboxamide
CID 167756186

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide (CID 24632177) is 5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide is NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cncc(Br)c2)c1.
What is the InChIKey of 5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide?
The InChIKey is NZTLWIWFVDHUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O2/c19-14-8-13(10-21-11-14)18(25)22-15-9-12(17(20)24)4-5-16(15)23-6-2-1-3-7-23/h4-5,8-11H,1-3,6-7H2,(H2,20,24)(H,22,25).
What are the key properties of 5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide?
5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide has a molecular weight of 403.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-carbamoyl-2-piperidin-1-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 24632177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).