(2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide

C10H14BrN3O — CID 107570334

IUPAC(2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccncc1Br
InChIInChI=1S/C10H14BrN3O/c1-2-3-8(12)10(15)14-9-4-5-13-6-7(9)11/h4-6,8H,2-3,12H2,1H3,(H,13,14,15)/t8-/m0/s1
InChIKeyHZAREYOSNKHRGN-QMMMGPOBSA-N
MW272.15 g/mol
LogP1.91
Rot. Bonds4

About (2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide

(2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide (PubChem CID 107570334) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is (2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide
PubChem CID107570334
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name(2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccncc1Br
InChIInChI=1S/C10H14BrN3O/c1-2-3-8(12)10(15)14-9-4-5-13-6-7(9)11/h4-6,8H,2-3,12H2,1H3,(H,13,14,15)/t8-/m0/s1
InChIKeyHZAREYOSNKHRGN-QMMMGPOBSA-N
XLogP1.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide
CID 107570335
(2R)-2-amino-N-isoquinolin-5-ylpentanamide
CID 107568420
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
CID 107625667
4-[[(2S)-2-aminopentanoyl]amino]-3-bromobenzoic acid
CID 113342221
3-[[(2R)-2-aminopentanoyl]amino]-4-bromobenzoic acid
CID 114003951
(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide
CID 113264050
(2R)-2-amino-N-(4-bromo-2-methylphenyl)pentanamide
CID 103793966
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
(2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide
CID 107568149
2-amino-N-(2-bromo-4,5-dimethoxyphenyl)pentanamide;hydrochloride
CID 119301241
2-bromo-N-(3-bromo-4-pyridinyl)-2-methylpropanamide
CID 114328998

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide (CID 107570334) is (2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide is CCC[C@H](N)C(=O)Nc1ccncc1Br.
What is the InChIKey of (2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide?
The InChIKey is HZAREYOSNKHRGN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-2-3-8(12)10(15)14-9-4-5-13-6-7(9)11/h4-6,8H,2-3,12H2,1H3,(H,13,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide?
(2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide has a molecular weight of 272.15 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3-bromo-4-pyridinyl)pentanamide is sourced from PubChem (CID 107570334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).