4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide

C12H11Br2N3O — CID 100631185

IUPAC4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc(Br)c[nH]1)c1ccc(Br)cn1
InChIInChI=1S/C12H11Br2N3O/c1-7(10-3-2-8(13)5-15-10)17-12(18)11-4-9(14)6-16-11/h2-7,16H,1H3,(H,17,18)/t7-/m0/s1
InChIKeyIMLQLCXZQSHVPP-ZETCQYMHSA-N
MW373.05 g/mol
LogP3.43
Rot. Bonds3

About 4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 100631185) has the molecular formula C12H11Br2N3O and a molecular weight of 373.05 g/mol. Its IUPAC name is 4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID100631185
Molecular FormulaC12H11Br2N3O
Molecular Weight373.05 g/mol
Exact Mass370.93
IUPAC Name4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESC[C@H](NC(=O)c1cc(Br)c[nH]1)c1ccc(Br)cn1
InChIInChI=1S/C12H11Br2N3O/c1-7(10-3-2-8(13)5-15-10)17-12(18)11-4-9(14)6-16-11/h2-7,16H,1H3,(H,17,18)/t7-/m0/s1
InChIKeyIMLQLCXZQSHVPP-ZETCQYMHSA-N
XLogP3.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 93317785
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CID 103722970
4-bromo-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103948932
4-bromo-N-[1-(4-bromophenyl)propan-2-yl]-1H-pyrrole-2-carboxamide
CID 47210992
4-bromo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 51218022
4-bromo-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 55748639
4-bromo-N-hexan-3-yl-1H-pyrrole-2-carboxamide
CID 62047480
1-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-3-[(3S)-4-methylpent-1-yn-3-yl]urea
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(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
4-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1H-pyrrole-2-carboxamide
CID 134021153
1-[(1R)-1-(5-bromo-2-pyridinyl)ethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 125139850
4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide (CID 100631185) is 4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide is C[C@H](NC(=O)c1cc(Br)c[nH]1)c1ccc(Br)cn1.
What is the InChIKey of 4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is IMLQLCXZQSHVPP-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H11Br2N3O/c1-7(10-3-2-8(13)5-15-10)17-12(18)11-4-9(14)6-16-11/h2-7,16H,1H3,(H,17,18)/t7-/m0/s1.
What are the key properties of 4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 373.05 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1S)-1-(5-bromo-2-pyridinyl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 100631185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).