N-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

C18H20BrN3O — CID 109227293

IUPACN-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2cncc(C(=O)Nc3ccc(Br)cc3)c2)CC1
InChIInChI=1S/C18H20BrN3O/c1-13-6-8-22(9-7-13)17-10-14(11-20-12-17)18(23)21-16-4-2-15(19)3-5-16/h2-5,10-13H,6-9H2,1H3,(H,21,23)
InChIKeyFDFQYWSXLCSUQO-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.33
Rot. Bonds3

About N-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide

N-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 109227293) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID109227293
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC NameN-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2cncc(C(=O)Nc3ccc(Br)cc3)c2)CC1
InChIInChI=1S/C18H20BrN3O/c1-13-6-8-22(9-7-13)17-10-14(11-20-12-17)18(23)21-16-4-2-15(19)3-5-16/h2-5,10-13H,6-9H2,1H3,(H,21,23)
InChIKeyFDFQYWSXLCSUQO-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

N-(4-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227284
N-(3-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227296
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
5-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109227275
N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
CID 109241376
N-(4-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227287
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
N-[4-(4-methylpiperidin-1-yl)phenyl]-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224298
5-[(4-bromobenzoyl)amino]-2-(4-methylpiperidin-1-yl)benzoic acid
CID 50807368
N-(4-chlorophenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103238
methyl 4-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109240867

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide (CID 109227293) is N-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2cncc(C(=O)Nc3ccc(Br)cc3)c2)CC1.
What is the InChIKey of N-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is FDFQYWSXLCSUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c1-13-6-8-22(9-7-13)17-10-14(11-20-12-17)18(23)21-16-4-2-15(19)3-5-16/h2-5,10-13H,6-9H2,1H3,(H,21,23).
What are the key properties of N-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide?
N-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-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-(4-bromophenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109227293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).