N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide

C23H27BrN4O2 — CID 143735206

IUPACN-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide
SMILESC=C(CNC(=O)c1cccnc1)Nc1ccc(Br)cc1C(=O)N1CC(C)C[C@@H](C)C1
InChIInChI=1S/C23H27BrN4O2/c1-15-9-16(2)14-28(13-15)23(30)20-10-19(24)6-7-21(20)27-17(3)11-26-22(29)18-5-4-8-25-12-18/h4-8,10,12,15-16,27H,3,9,11,13-14H2,1-2H3,(H,26,29)/t15-,16?/m1/s1
InChIKeyRKARTMPVUBYMEY-AAFJCEBUSA-N
MW471.40 g/mol
LogP4.32
Rot. Bonds6

About N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide

N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide (PubChem CID 143735206) has the molecular formula C23H27BrN4O2 and a molecular weight of 471.40 g/mol. Its IUPAC name is N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide
PubChem CID143735206
Molecular FormulaC23H27BrN4O2
Molecular Weight471.40 g/mol
Exact Mass470.13
IUPAC NameN-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide
SMILESC=C(CNC(=O)c1cccnc1)Nc1ccc(Br)cc1C(=O)N1CC(C)C[C@@H](C)C1
InChIInChI=1S/C23H27BrN4O2/c1-15-9-16(2)14-28(13-15)23(30)20-10-19(24)6-7-21(20)27-17(3)11-26-22(29)18-5-4-8-25-12-18/h4-8,10,12,15-16,27H,3,9,11,13-14H2,1-2H3,(H,26,29)/t15-,16?/m1/s1
InChIKeyRKARTMPVUBYMEY-AAFJCEBUSA-N
XLogP4.32
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.40
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide with MolForge

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Related Compounds

5-bromo-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 46437154
N-[4-bromo-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-oxobutanamide
CID 143735227
2-acetamido-N-[4-bromo-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]butanamide
CID 69231662
4-[4-bromo-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]-N-methyl-N-[(2E,4Z)-2-methylhexa-2,4-dienyl]pent-4-enamide
CID 89247092
N-[4-bromo-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]pyrrolidine-2-carboxamide
CID 69170809
N-[2-(4-tert-butyl-N-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]anilino)-2-oxoethyl]pyridine-3-carboxamide
CID 69228392
4-bromo-N-[2-oxo-2-[2-(pyridine-3-carbonyl)hydrazinyl]ethyl]benzamide
CID 35151089
5-methyl-1-[2-(pyridine-3-carbonylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122122165
1-[4-bromo-2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-3-[1-(1H-pyrrol-2-yl)ethyl]urea
CID 69231648
N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705521
N-(4-bromo-2-cyanophenyl)pyridine-3-carboxamide
CID 82708795
N-[2-[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111146016

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide (CID 143735206) is N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide is C=C(CNC(=O)c1cccnc1)Nc1ccc(Br)cc1C(=O)N1CC(C)C[C@@H](C)C1.
What is the InChIKey of N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide?
The InChIKey is RKARTMPVUBYMEY-AAFJCEBUSA-N. The full InChI is InChI=1S/C23H27BrN4O2/c1-15-9-16(2)14-28(13-15)23(30)20-10-19(24)6-7-21(20)27-17(3)11-26-22(29)18-5-4-8-25-12-18/h4-8,10,12,15-16,27H,3,9,11,13-14H2,1-2H3,(H,26,29)/t15-,16?/m1/s1.
What are the key properties of N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide?
N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide has a molecular weight of 471.40 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-bromo-2-[(5R)-3,5-dimethylpiperidine-1-carbonyl]anilino]prop-2-enyl]pyridine-3-carboxamide is sourced from PubChem (CID 143735206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).