3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide

C14H14BrClN4O — CID 133399661

IUPAC3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide
SMILESCC(Cc1cccc(Br)c1)Nc1nnc(Cl)cc1C(N)=O
InChIInChI=1S/C14H14BrClN4O/c1-8(5-9-3-2-4-10(15)6-9)18-14-11(13(17)21)7-12(16)19-20-14/h2-4,6-8H,5H2,1H3,(H2,17,21)(H,18,20)
InChIKeyXXEOVJVLFGEBBC-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.03
Rot. Bonds5

About 3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide

3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide (PubChem CID 133399661) has the molecular formula C14H14BrClN4O and a molecular weight of 369.65 g/mol. Its IUPAC name is 3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide.

Molecular Properties

Compound Name3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide
PubChem CID133399661
Molecular FormulaC14H14BrClN4O
Molecular Weight369.65 g/mol
Exact Mass368.00
IUPAC Name3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide
SMILESCC(Cc1cccc(Br)c1)Nc1nnc(Cl)cc1C(N)=O
InChIInChI=1S/C14H14BrClN4O/c1-8(5-9-3-2-4-10(15)6-9)18-14-11(13(17)21)7-12(16)19-20-14/h2-4,6-8H,5H2,1H3,(H2,17,21)(H,18,20)
InChIKeyXXEOVJVLFGEBBC-UHFFFAOYSA-N
XLogP3.03
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 119740640
4-(3-bromophenyl)-3-methylbutanethioamide
CID 83924016
2-bromo-3-(3-bromophenyl)propanamide
CID 104512986
6-chloro-3-[2-(3-methylphenoxy)propylamino]pyridazine-4-carboxamide
CID 133341092
methyl N-[3-[[(2S)-1-(3-bromophenyl)propan-2-yl]amino]-3-oxopropyl]carbamate
CID 97087783
N-[(2R)-1-(3-bromophenyl)propan-2-yl]formamide
CID 125472845
2-[1-(3-bromophenyl)propan-2-ylamino]propane-1,3-diol
CID 115724199
N-[(2R)-1-aminopropan-2-yl]-2-(3-bromophenyl)acetamide
CID 104873054
5-[[2-(3-bromophenyl)acetyl]amino]hexanoic acid
CID 82854620
1-amino-N-[1-(3-bromophenyl)propan-2-yl]cyclohexane-1-carboxamide
CID 119298802
1-(3-bromophenyl)-N-(trideuteriomethyl)propan-2-amine
CID 169435063
4-(3-bromophenyl)-3-methylbutanoic acid
CID 67126232

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide?
The IUPAC name of 3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide (CID 133399661) is 3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide.
What is the SMILES notation for 3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide?
The canonical SMILES for 3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide is CC(Cc1cccc(Br)c1)Nc1nnc(Cl)cc1C(N)=O.
What is the InChIKey of 3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide?
The InChIKey is XXEOVJVLFGEBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN4O/c1-8(5-9-3-2-4-10(15)6-9)18-14-11(13(17)21)7-12(16)19-20-14/h2-4,6-8H,5H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of 3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide?
3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide has a molecular weight of 369.65 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-bromophenyl)propan-2-ylamino]-6-chloropyridazine-4-carboxamide is sourced from PubChem (CID 133399661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).