N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide

C9H10BrN3O2 — CID 131186254

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1Br)C(N)=O
InChIInChI=1S/C9H10BrN3O2/c1-5(8(11)14)13-9(15)6-2-3-12-4-7(6)10/h2-5H,1H3,(H2,11,14)(H,13,15)/t5-/m0/s1
InChIKeyXASYGMVSWXLVDZ-YFKPBYRVSA-N
MW272.10 g/mol
LogP0.45
Rot. Bonds3

About N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide (PubChem CID 131186254) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
PubChem CID131186254
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1Br)C(N)=O
InChIInChI=1S/C9H10BrN3O2/c1-5(8(11)14)13-9(15)6-2-3-12-4-7(6)10/h2-5H,1H3,(H2,11,14)(H,13,15)/t5-/m0/s1
InChIKeyXASYGMVSWXLVDZ-YFKPBYRVSA-N
XLogP0.45
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide
CID 81243304
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
CID 103763560
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-bromo-5-methylbenzamide
CID 171385167
N-(1-amino-1-oxopropan-2-yl)-2-bromo-5-methylbenzamide
CID 80980301
3-bromopyridine-4-carboxamide;hydrochloride
CID 169006653
methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate
CID 139180597
N-[(2S)-1-amino-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 130166243
N-[(2R)-1-amino-1-oxopropan-2-yl]-2-bromo-3-chlorobenzamide
CID 171390393
3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105069443
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 77135183
N-(1-amino-1-oxopropan-2-yl)-5-bromo-2-methylbenzamide
CID 65307034

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide (CID 131186254) is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide is C[C@H](NC(=O)c1ccncc1Br)C(N)=O.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide?
The InChIKey is XASYGMVSWXLVDZ-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c1-5(8(11)14)13-9(15)6-2-3-12-4-7(6)10/h2-5H,1H3,(H2,11,14)(H,13,15)/t5-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide has a molecular weight of 272.10 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide is sourced from PubChem (CID 131186254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).