3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide

C12H13BrN4O — CID 107518195

IUPAC3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)c1ncccc1Br
InChIInChI=1S/C12H13BrN4O/c1-9(7-17-6-5-14-8-17)16-12(18)11-10(13)3-2-4-15-11/h2-6,8-9H,7H2,1H3,(H,16,18)
InChIKeySMNARTPPWOCDMO-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.86
Rot. Bonds4

About 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide

3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide (PubChem CID 107518195) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide
PubChem CID107518195
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)c1ncccc1Br
InChIInChI=1S/C12H13BrN4O/c1-9(7-17-6-5-14-8-17)16-12(18)11-10(13)3-2-4-15-11/h2-6,8-9H,7H2,1H3,(H,16,18)
InChIKeySMNARTPPWOCDMO-UHFFFAOYSA-N
XLogP1.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[(2S)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519692
3-bromo-N-[(2R)-1-hydroxypropan-2-yl]pyridine-2-carboxamide
CID 107519719
2-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 62241282
3-hydroxy-N-(3-imidazol-1-yl-2-methylpropyl)pyridine-2-carboxamide
CID 91649854
3-bromo-N-(5-bromopentan-2-yl)pyridine-2-carboxamide
CID 107526265
3-bromo-N-[1-(dimethylamino)propan-2-yl]pyridine-2-carboxamide
CID 107519243
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-2-methylbenzamide
CID 65311773
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
3-hydroxy-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 54958933
3-hydroxy-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyridine-2-carboxamide
CID 154805729
1-(1-imidazol-1-ylpropan-2-yl)-3-(1-pyridin-2-ylethyl)urea
CID 47220217

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide (CID 107518195) is 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide is CC(Cn1ccnc1)NC(=O)c1ncccc1Br.
What is the InChIKey of 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide?
The InChIKey is SMNARTPPWOCDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-9(7-17-6-5-14-8-17)16-12(18)11-10(13)3-2-4-15-11/h2-6,8-9H,7H2,1H3,(H,16,18).
What are the key properties of 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide?
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107518195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).