5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide

C14H12Br2N2O — CID 9220092

IUPAC5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cncc(Br)c1)c1ccccc1Br
InChIInChI=1S/C14H12Br2N2O/c1-9(12-4-2-3-5-13(12)16)18-14(19)10-6-11(15)8-17-7-10/h2-9H,1H3,(H,18,19)/t9-/m0/s1
InChIKeyPKIGEWPYCIYHGV-VIFPVBQESA-N
MW384.07 g/mol
LogP4.10
Rot. Bonds3

About 5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide

5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 9220092) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is 5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide
PubChem CID9220092
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC Name5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cncc(Br)c1)c1ccccc1Br
InChIInChI=1S/C14H12Br2N2O/c1-9(12-4-2-3-5-13(12)16)18-14(19)10-6-11(15)8-17-7-10/h2-9H,1H3,(H,18,19)/t9-/m0/s1
InChIKeyPKIGEWPYCIYHGV-VIFPVBQESA-N
XLogP4.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 55027225
5-bromo-N-[(1R)-1-pyridin-3-ylethyl]pyridine-3-carboxamide
CID 51546891
N-[(1S)-1-(2-bromophenyl)ethyl]-3,5-difluorobenzamide
CID 8759706
5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 2449849
5-bromo-N-[1-(4-ethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 51292691
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
5-bromo-N-(3-hydroxybutan-2-yl)pyridine-3-carboxamide
CID 131048375
5-bromo-N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 8962937
2-bromo-N-[1-(2-bromophenyl)ethyl]benzamide
CID 42998507
5-bromo-N-[(1R)-3-methyl-1-phenylbutyl]pyridine-3-carboxamide
CID 27853245
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]pyridine-3-carboxamide
CID 47296504
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 28979295

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide (CID 9220092) is 5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide is C[C@H](NC(=O)c1cncc(Br)c1)c1ccccc1Br.
What is the InChIKey of 5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is PKIGEWPYCIYHGV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H12Br2N2O/c1-9(12-4-2-3-5-13(12)16)18-14(19)10-6-11(15)8-17-7-10/h2-9H,1H3,(H,18,19)/t9-/m0/s1.
What are the key properties of 5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide?
5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 384.07 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1S)-1-(2-bromophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 9220092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).