N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide

C15H15BrN2O — CID 51948817

IUPACN-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](Cc1ccc(Br)cc1)NC(=O)c1cccnc1
InChIInChI=1S/C15H15BrN2O/c1-11(9-12-4-6-14(16)7-5-12)18-15(19)13-3-2-8-17-10-13/h2-8,10-11H,9H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyYDSJLBSGCIBAOM-LLVKDONJSA-N
MW319.20 g/mol
LogP3.21
Rot. Bonds4

About N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide

N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide (PubChem CID 51948817) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
PubChem CID51948817
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC NameN-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](Cc1ccc(Br)cc1)NC(=O)c1cccnc1
InChIInChI=1S/C15H15BrN2O/c1-11(9-12-4-6-14(16)7-5-12)18-15(19)13-3-2-8-17-10-13/h2-8,10-11H,9H2,1H3,(H,18,19)/t11-/m1/s1
InChIKeyYDSJLBSGCIBAOM-LLVKDONJSA-N
XLogP3.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propan-2-yl]-5-hydroxypyridine-3-carboxamide
CID 63860266
N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 47088997
5-bromo-N-[1-(4-bromophenyl)propan-2-yl]pyridine-2-carboxamide
CID 62953884
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-cyanobenzamide
CID 51948764
N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
CID 47311353
4-bromo-N-(1-pyridin-3-ylethyl)benzamide
CID 18162969
methyl 3-(4-hydroxyphenyl)-2-(pyridine-3-carbonylamino)propanoate
CID 67326276
4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 47210992
N-[(2R)-1-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 51891666
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
N-(1-amino-3-phenylpropan-2-yl)pyridine-3-carboxamide
CID 63754512
N-[1-(4-bromophenyl)propan-2-yl]-4-chloropyridine-2-carboxamide
CID 55716947

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide (CID 51948817) is N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide is C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cccnc1.
What is the InChIKey of N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide?
The InChIKey is YDSJLBSGCIBAOM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11(9-12-4-6-14(16)7-5-12)18-15(19)13-3-2-8-17-10-13/h2-8,10-11H,9H2,1H3,(H,18,19)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide?
N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide has a molecular weight of 319.20 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 51948817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).