N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide

C14H14BrN3O — CID 115273748

IUPACN-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide
SMILESNc1ccc(NC(=O)CCc2cccc(Br)c2)nc1
InChIInChI=1S/C14H14BrN3O/c15-11-3-1-2-10(8-11)4-7-14(19)18-13-6-5-12(16)9-17-13/h1-3,5-6,8-9H,4,7,16H2,(H,17,18,19)
InChIKeyHUWSFWQFGBIQPW-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.00
Rot. Bonds4

About N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide

N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide (PubChem CID 115273748) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide
PubChem CID115273748
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC NameN-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide
SMILESNc1ccc(NC(=O)CCc2cccc(Br)c2)nc1
InChIInChI=1S/C14H14BrN3O/c15-11-3-1-2-10(8-11)4-7-14(19)18-13-6-5-12(16)9-17-13/h1-3,5-6,8-9H,4,7,16H2,(H,17,18,19)
InChIKeyHUWSFWQFGBIQPW-UHFFFAOYSA-N
XLogP3.00
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-pyridinyl)-3-(2-bromophenyl)propanamide
CID 115273754
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3-(3-aminophenyl)-N-(3-bromophenyl)propanamide
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3-(3-bromophenyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
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3-(3-bromophenyl)-N-(3-hydroxyphenyl)propanamide
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3-(3-aminophenyl)-N-(2,5-dibromophenyl)propanamide
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N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide
CID 115274084
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
3-(3-bromophenyl)propanamide
CID 20823841
N-[1-(aminomethyl)cyclopentyl]-3-(3-bromophenyl)propanamide;hydrochloride
CID 119566788
3-(3-bromophenyl)-N-cyanopropanamide
CID 79193690
2-[3-(3-bromophenyl)propanoylamino]oxyacetic acid
CID 60667850

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide (CID 115273748) is N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide is Nc1ccc(NC(=O)CCc2cccc(Br)c2)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide?
The InChIKey is HUWSFWQFGBIQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-11-3-1-2-10(8-11)4-7-14(19)18-13-6-5-12(16)9-17-13/h1-3,5-6,8-9H,4,7,16H2,(H,17,18,19).
What are the key properties of N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide?
N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide has a molecular weight of 320.19 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-3-(3-bromophenyl)propanamide is sourced from PubChem (CID 115273748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).