3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide

C19H23BrN4O3 — CID 86945175

IUPAC3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)CCn2cc(Br)ccc2=O)c1
InChIInChI=1S/C19H23BrN4O3/c1-23(2)13-18(26)22-16-5-3-4-14(10-16)11-21-17(25)8-9-24-12-15(20)6-7-19(24)27/h3-7,10,12H,8-9,11,13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyJAXVUAXRQAPGTI-UHFFFAOYSA-N
MW435.32 g/mol
LogP1.82
Rot. Bonds8

About 3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide

3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide (PubChem CID 86945175) has the molecular formula C19H23BrN4O3 and a molecular weight of 435.32 g/mol. Its IUPAC name is 3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide
PubChem CID86945175
Molecular FormulaC19H23BrN4O3
Molecular Weight435.32 g/mol
Exact Mass434.10
IUPAC Name3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide
SMILESCN(C)CC(=O)Nc1cccc(CNC(=O)CCn2cc(Br)ccc2=O)c1
InChIInChI=1S/C19H23BrN4O3/c1-23(2)13-18(26)22-16-5-3-4-14(10-16)11-21-17(25)8-9-24-12-15(20)6-7-19(24)27/h3-7,10,12H,8-9,11,13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyJAXVUAXRQAPGTI-UHFFFAOYSA-N
XLogP1.82
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide with MolForge

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Related Compounds

4-(4-tert-butylphenyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
CID 86883417
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55797255
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-4-(3-methylphenoxy)butanamide
CID 55797246
3-(5-bromo-2-oxo-1-pyridinyl)-N-(thiophen-2-ylmethyl)propanamide
CID 86822713
2-(dimethylamino)-N-[3-[[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]methyl]phenyl]acetamide;hydroiodide
CID 111126312
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56553142
4-(4-chloro-2-methylphenoxy)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
CID 55797087
3-(dimethylamino)-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]propanamide
CID 71929848
N-[1-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 55869460
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2,3-dimethoxybenzamide
CID 55797093
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55797410
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 55800466

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide?
The IUPAC name of 3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide (CID 86945175) is 3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide?
The canonical SMILES for 3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide is CN(C)CC(=O)Nc1cccc(CNC(=O)CCn2cc(Br)ccc2=O)c1.
What is the InChIKey of 3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide?
The InChIKey is JAXVUAXRQAPGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O3/c1-23(2)13-18(26)22-16-5-3-4-14(10-16)11-21-17(25)8-9-24-12-15(20)6-7-19(24)27/h3-7,10,12H,8-9,11,13H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide?
3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide has a molecular weight of 435.32 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-oxo-1-pyridinyl)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]propanamide is sourced from PubChem (CID 86945175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).