(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide

C15H15BrN4O2 — CID 2450506

IUPAC(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide
SMILESNC(=O)N[C@@H](CC(=O)Nc1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN4O2/c16-11-4-1-3-10(7-11)13(20-15(17)22)8-14(21)19-12-5-2-6-18-9-12/h1-7,9,13H,8H2,(H,19,21)(H3,17,20,22)/t13-/m0/s1
InChIKeyBONNAXLWHJYTCL-ZDUSSCGKSA-N
MW363.22 g/mol
LogP2.58
Rot. Bonds5

About (3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide

(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide (PubChem CID 2450506) has the molecular formula C15H15BrN4O2 and a molecular weight of 363.22 g/mol. Its IUPAC name is (3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide
PubChem CID2450506
Molecular FormulaC15H15BrN4O2
Molecular Weight363.22 g/mol
Exact Mass362.04
IUPAC Name(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide
SMILESNC(=O)N[C@@H](CC(=O)Nc1cccnc1)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN4O2/c16-11-4-1-3-10(7-11)13(20-15(17)22)8-14(21)19-12-5-2-6-18-9-12/h1-7,9,13H,8H2,(H,19,21)(H3,17,20,22)/t13-/m0/s1
InChIKeyBONNAXLWHJYTCL-ZDUSSCGKSA-N
XLogP2.58
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromophenyl)-3-(carbamoylamino)-N-(6-methoxy-3-pyridinyl)propanamide
CID 24635207
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-sulfamoylphenyl)propanamide
CID 25408659
[1-(3-bromophenyl)-3-oxo-3-[2-(pyrazine-2-carbonyl)hydrazinyl]propyl]urea
CID 24638054
3-(3-bromophenyl)-3-(carbamoylamino)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 24637720
(3R)-3-(4-bromophenyl)-3-(carbamoylamino)-N-(3-propan-2-ylphenyl)propanamide
CID 51724863
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-cyclohexylpropanamide
CID 32704367
[3-[2-(2-bromobenzoyl)hydrazinyl]-1-(3-bromophenyl)-3-oxopropyl]urea
CID 24643247
(3R)-3-(3-bromophenyl)-3-(carbamoylamino)-N-(2-piperidin-1-ylphenyl)propanamide
CID 30284468
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
N-[1-(3-bromophenyl)-2-hydroxyethyl]-2-pyridin-3-ylacetamide
CID 122158945
N-(6-anilino-3-pyridinyl)-3-(carbamoylamino)-3-(3-phenoxyphenyl)propanamide
CID 146152381
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 38713066

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide?
The IUPAC name of (3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide (CID 2450506) is (3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide.
What is the SMILES notation for (3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide?
The canonical SMILES for (3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide is NC(=O)N[C@@H](CC(=O)Nc1cccnc1)c1cccc(Br)c1.
What is the InChIKey of (3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide?
The InChIKey is BONNAXLWHJYTCL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15BrN4O2/c16-11-4-1-3-10(7-11)13(20-15(17)22)8-14(21)19-12-5-2-6-18-9-12/h1-7,9,13H,8H2,(H,19,21)(H3,17,20,22)/t13-/m0/s1.
What are the key properties of (3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide?
(3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide has a molecular weight of 363.22 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-bromophenyl)-3-(carbamoylamino)-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 2450506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).