3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide

C16H17BrN4O3 — CID 24635207

IUPAC3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CC(NC(N)=O)c2cccc(Br)c2)cn1
InChIInChI=1S/C16H17BrN4O3/c1-24-15-6-5-12(9-19-15)20-14(22)8-13(21-16(18)23)10-3-2-4-11(17)7-10/h2-7,9,13H,8H2,1H3,(H,20,22)(H3,18,21,23)
InChIKeyZISCPANZGWSKTR-UHFFFAOYSA-N
MW393.24 g/mol
LogP2.59
Rot. Bonds6

About 3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide

3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide (PubChem CID 24635207) has the molecular formula C16H17BrN4O3 and a molecular weight of 393.24 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide
PubChem CID24635207
Molecular FormulaC16H17BrN4O3
Molecular Weight393.24 g/mol
Exact Mass392.05
IUPAC Name3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide
SMILESCOc1ccc(NC(=O)CC(NC(N)=O)c2cccc(Br)c2)cn1
InChIInChI=1S/C16H17BrN4O3/c1-24-15-6-5-12(9-19-15)20-14(22)8-13(21-16(18)23)10-3-2-4-11(17)7-10/h2-7,9,13H,8H2,1H3,(H,20,22)(H3,18,21,23)
InChIKeyZISCPANZGWSKTR-UHFFFAOYSA-N
XLogP2.59
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide
CID 2450506
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide
CID 25408659
3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 24637720
N-[(1S)-3-[(6-methoxy-3-pyridinyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 9210815
[1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea
CID 24638054
N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 146152381
(3S)-3-(carbamoylamino)-N-[6-(dimethylamino)-3-pyridinyl]-3-phenylpropanamide
CID 94017927
2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-methoxy-3-pyridinyl)acetamide
CID 7478563
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide
CID 32704367
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide
CID 51724863
[3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea
CID 24643247
2-(3-aminophenyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 62499152

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide?
The IUPAC name of 3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide (CID 24635207) is 3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for 3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide is COc1ccc(NC(=O)CC(NC(N)=O)c2cccc(Br)c2)cn1.
What is the InChIKey of 3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide?
The InChIKey is ZISCPANZGWSKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O3/c1-24-15-6-5-12(9-19-15)20-14(22)8-13(21-16(18)23)10-3-2-4-11(17)7-10/h2-7,9,13H,8H2,1H3,(H,20,22)(H3,18,21,23).
What are the key properties of 3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide?
3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide has a molecular weight of 393.24 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 24635207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).