2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide

C10H14BrN3O — CID 107903618

IUPAC2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide
SMILESCC(Br)C(=O)Nc1cnccc1N(C)C
InChIInChI=1S/C10H14BrN3O/c1-7(11)10(15)13-8-6-12-5-4-9(8)14(2)3/h4-7H,1-3H3,(H,13,15)
InChIKeyFCDUONPWVHBIAG-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.87
Rot. Bonds3

About 2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide

2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide (PubChem CID 107903618) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide
PubChem CID107903618
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide
SMILESCC(Br)C(=O)Nc1cnccc1N(C)C
InChIInChI=1S/C10H14BrN3O/c1-7(11)10(15)13-8-6-12-5-4-9(8)14(2)3/h4-7H,1-3H3,(H,13,15)
InChIKeyFCDUONPWVHBIAG-UHFFFAOYSA-N
XLogP1.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 103928632
2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3,3-dimethylbutanamide
CID 76893750
3-amino-N-[4-(dimethylamino)-3-pyridinyl]butanamide
CID 60837788
phenyl N-[4-(dimethylamino)-3-pyridinyl]carbamate
CID 63374978
(2R)-2-amino-N-[4-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
CID 78984805
N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
(Z)-4-[[4-(dimethylamino)-3-pyridinyl]amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 55169837
2,4-dibromo-N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 103885438
2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide
CID 166355511
5-bromo-N-[4-(dimethylamino)-3-pyridinyl]-2-methylbenzamide
CID 65311874
N-[4-(dimethylamino)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 78941969
N-[4-(dimethylamino)-3-pyridinyl]-4-(methylamino)butanamide
CID 60843296

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide?
The IUPAC name of 2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide (CID 107903618) is 2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide.
What is the SMILES notation for 2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide?
The canonical SMILES for 2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide is CC(Br)C(=O)Nc1cnccc1N(C)C.
What is the InChIKey of 2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide?
The InChIKey is FCDUONPWVHBIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-7(11)10(15)13-8-6-12-5-4-9(8)14(2)3/h4-7H,1-3H3,(H,13,15).
What are the key properties of 2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide?
2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide has a molecular weight of 272.15 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(dimethylamino)-3-pyridinyl]propanamide is sourced from PubChem (CID 107903618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).