N-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide

C14H13BrN4O3 — CID 47059548

IUPACN-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide
SMILESO=C(CCNc1ncccc1[N+](=O)[O-])Nc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN4O3/c15-10-3-5-11(6-4-10)18-13(20)7-9-17-14-12(19(21)22)2-1-8-16-14/h1-6,8H,7,9H2,(H,16,17)(H,18,20)
InChIKeyMKJSADHQWUZVFP-UHFFFAOYSA-N
MW365.19 g/mol
LogP3.19
Rot. Bonds6

About N-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide

N-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide (PubChem CID 47059548) has the molecular formula C14H13BrN4O3 and a molecular weight of 365.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide
PubChem CID47059548
Molecular FormulaC14H13BrN4O3
Molecular Weight365.19 g/mol
Exact Mass364.02
IUPAC NameN-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide
SMILESO=C(CCNc1ncccc1[N+](=O)[O-])Nc1ccc(Br)cc1
InChIInChI=1S/C14H13BrN4O3/c15-10-3-5-11(6-4-10)18-13(20)7-9-17-14-12(19(21)22)2-1-8-16-14/h1-6,8H,7,9H2,(H,16,17)(H,18,20)
InChIKeyMKJSADHQWUZVFP-UHFFFAOYSA-N
XLogP3.19
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[3-[(3-nitro-2-pyridinyl)amino]propyl]benzamide
CID 133275173
N-(4-bromo-2-methylphenyl)-2-[(3-nitro-2-pyridinyl)amino]acetamide
CID 9195968
3-[(3-nitro-2-pyridinyl)amino]propan-1-ol;hydrochloride
CID 71299310
N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-nitrobenzamide
CID 60552508
N-(4-bromophenyl)-3-(2-nitro-4-sulfamoylanilino)propanamide
CID 36838470
N-(3-nitro-2-pyridinyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 52664309
1-morpholin-4-yl-3-[(3-nitro-2-pyridinyl)amino]propan-1-one
CID 115577529
N-(3-bromophenyl)-3-(2-nitroanilino)propanamide
CID 16620730
1-(3-nitro-2-pyridinyl)-3-phenylurea
CID 134095340
4-[2-[(3-nitro-2-pyridinyl)amino]ethyl]benzoic acid
CID 43227037
N-(4-bromophenyl)-2-(2-chloro-3-nitropyridin-1-ium-1-yl)acetamide chloride
CID 17389157
2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-methylpyridine-3-carboxamide
CID 133328257

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide?
The IUPAC name of N-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide (CID 47059548) is N-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide is O=C(CCNc1ncccc1[N+](=O)[O-])Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide?
The InChIKey is MKJSADHQWUZVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O3/c15-10-3-5-11(6-4-10)18-13(20)7-9-17-14-12(19(21)22)2-1-8-16-14/h1-6,8H,7,9H2,(H,16,17)(H,18,20).
What are the key properties of N-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide?
N-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide has a molecular weight of 365.19 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[(3-nitro-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 47059548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).