5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide

C20H22BrN3O2 — CID 46437154

IUPAC5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C20H22BrN3O2/c1-13-7-14(2)12-24(11-13)20(26)17-5-3-4-6-18(17)23-19(25)15-8-16(21)10-22-9-15/h3-6,8-10,13-14H,7,11-12H2,1-2H3,(H,23,25)
InChIKeyCNRFAJILEBINST-UHFFFAOYSA-N
MW416.32 g/mol
LogP4.21
Rot. Bonds3

About 5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide

5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide (PubChem CID 46437154) has the molecular formula C20H22BrN3O2 and a molecular weight of 416.32 g/mol. Its IUPAC name is 5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
PubChem CID46437154
Molecular FormulaC20H22BrN3O2
Molecular Weight416.32 g/mol
Exact Mass415.09
IUPAC Name5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
SMILESCC1CC(C)CN(C(=O)c2ccccc2NC(=O)c2cncc(Br)c2)C1
InChIInChI=1S/C20H22BrN3O2/c1-13-7-14(2)12-24(11-13)20(26)17-5-3-4-6-18(17)23-19(25)15-8-16(21)10-22-9-15/h3-6,8-10,13-14H,7,11-12H2,1-2H3,(H,23,25)
InChIKeyCNRFAJILEBINST-UHFFFAOYSA-N
XLogP4.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid
CID 805036
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 51942835
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 51942841
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]quinoxaline-2-carboxamide
CID 55676948
4-(cyclopropanecarbonylamino)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]benzamide
CID 46442929
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55677590
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-6-methylpyridine-2-carboxamide
CID 46442735
N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 43048910
ethyl 2-[[5-(3-methylpiperidine-1-carbonyl)pyridine-3-carbonyl]amino]benzoate
CID 109107562
4-(2-amino-2-oxoethoxy)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-3,5-dimethoxybenzamide
CID 55677040
N-[2-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 51942966
N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide
CID 143735206

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide (CID 46437154) is 5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide is CC1CC(C)CN(C(=O)c2ccccc2NC(=O)c2cncc(Br)c2)C1.
What is the InChIKey of 5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
The InChIKey is CNRFAJILEBINST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O2/c1-13-7-14(2)12-24(11-13)20(26)17-5-3-4-6-18(17)23-19(25)15-8-16(21)10-22-9-15/h3-6,8-10,13-14H,7,11-12H2,1-2H3,(H,23,25).
What are the key properties of 5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide?
5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide has a molecular weight of 416.32 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 46437154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).