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

C13H18BrN3O — CID 66464130

IUPAC6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCC(CN1CCCC1)NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C13H18BrN3O/c1-10(9-17-6-2-3-7-17)16-13(18)11-4-5-12(14)15-8-11/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,18)
InChIKeyUGMZCWVVZBPAKA-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.06
Rot. Bonds4

About 6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide

6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide (PubChem CID 66464130) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
PubChem CID66464130
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
SMILESCC(CN1CCCC1)NC(=O)c1ccc(Br)nc1
InChIInChI=1S/C13H18BrN3O/c1-10(9-17-6-2-3-7-17)16-13(18)11-4-5-12(14)15-8-11/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,18)
InChIKeyUGMZCWVVZBPAKA-UHFFFAOYSA-N
XLogP2.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 95857759
6-amino-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 55041432
6-bromo-N-but-3-yn-2-ylpyridine-3-carboxamide
CID 114416382
2-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 61217354
N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 112841502
3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
3-bromo-5-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 103826722
4-fluoro-3-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 63213435
6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide
CID 66464126
4-amino-3-methoxy-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 104782742
4-(cyclopropylmethoxy)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60571522
6-bromo-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 115669874

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide (CID 66464130) is 6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide is CC(CN1CCCC1)NC(=O)c1ccc(Br)nc1.
What is the InChIKey of 6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide?
The InChIKey is UGMZCWVVZBPAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-10(9-17-6-2-3-7-17)16-13(18)11-4-5-12(14)15-8-11/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,16,18).
What are the key properties of 6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide?
6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide has a molecular weight of 312.21 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66464130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).