2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide

C13H18BrN3O2 — CID 103752610

IUPAC2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1Br)C(=O)NC(C)(C)C
InChIInChI=1S/C13H18BrN3O2/c1-8(11(18)17-13(2,3)4)16-12(19)9-6-5-7-15-10(9)14/h5-8H,1-4H3,(H,16,19)(H,17,18)
InChIKeySVRZVDFFSFVLCF-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.88
Rot. Bonds3

About 2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide

2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide (PubChem CID 103752610) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
PubChem CID103752610
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1Br)C(=O)NC(C)(C)C
InChIInChI=1S/C13H18BrN3O2/c1-8(11(18)17-13(2,3)4)16-12(19)9-6-5-7-15-10(9)14/h5-8H,1-4H3,(H,16,19)(H,17,18)
InChIKeySVRZVDFFSFVLCF-UHFFFAOYSA-N
XLogP1.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R)-2-[(2-bromopyridine-3-carbonyl)amino]propanoate
CID 103774609
2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687775
2-bromo-N-pentan-3-ylpyridine-3-carboxamide
CID 103751829
2,4-dibromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 103882644
2-bromo-N-[1-(1H-imidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 107261346
2-bromo-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 103886003
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 47400529
2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide
CID 103755271
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
2-bromo-N-(2,4,4-trimethylpentan-2-yl)pyridine-3-carboxamide
CID 113255136
2-bromo-N-[(1S)-1-(3,4-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 86669507
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide (CID 103752610) is 2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide is CC(NC(=O)c1cccnc1Br)C(=O)NC(C)(C)C.
What is the InChIKey of 2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The InChIKey is SVRZVDFFSFVLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-8(11(18)17-13(2,3)4)16-12(19)9-6-5-7-15-10(9)14/h5-8H,1-4H3,(H,16,19)(H,17,18).
What are the key properties of 2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 103752610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).