N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide

C18H20BrN3O — CID 109166535

IUPACN-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)Nc3ccccc3Br)ccn2)CC1
InChIInChI=1S/C18H20BrN3O/c1-13-7-10-22(11-8-13)17-12-14(6-9-20-17)18(23)21-16-5-3-2-4-15(16)19/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,21,23)
InChIKeyAVIRZDZKAKXKCX-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.33
Rot. Bonds3

About N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide

N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide (PubChem CID 109166535) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide
PubChem CID109166535
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC NameN-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)Nc3ccccc3Br)ccn2)CC1
InChIInChI=1S/C18H20BrN3O/c1-13-7-10-22(11-8-13)17-12-14(6-9-20-17)18(23)21-16-5-3-2-4-15(16)19/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,21,23)
InChIKeyAVIRZDZKAKXKCX-UHFFFAOYSA-N
XLogP4.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 122149926
2-(azepan-1-yl)-N-(2-bromo-4-methylphenyl)pyridine-4-carboxamide
CID 109176083
2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109166542
N-(2-bromophenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081328
N-pyridin-2-yl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574823
2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360651
2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360654
3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 4201717
N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 109166024
N-(2,4-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109174623
2-(4-methylpiperazin-1-yl)-N-(2-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 126768033
2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide
CID 166256636

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide (CID 109166535) is N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide is CC1CCN(c2cc(C(=O)Nc3ccccc3Br)ccn2)CC1.
What is the InChIKey of N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide?
The InChIKey is AVIRZDZKAKXKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-13-7-10-22(11-8-13)17-12-14(6-9-20-17)18(23)21-16-5-3-2-4-15(16)19/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,21,23).
What are the key properties of N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide?
N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide has a molecular weight of 374.28 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109166535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).