N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C20H18BrN5O2 — CID 71879575

IUPACN-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C20H18BrN5O2/c21-14-4-3-5-16(12-14)28-19-9-6-15(13-22-19)23-20(27)17-7-8-18(25-24-17)26-10-1-2-11-26/h3-9,12-13H,1-2,10-11H2,(H,23,27)
InChIKeyVBDFTFVZQUJFFD-UHFFFAOYSA-N
MW440.30 g/mol
LogP4.28
Rot. Bonds5

About N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 71879575) has the molecular formula C20H18BrN5O2 and a molecular weight of 440.30 g/mol. Its IUPAC name is N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID71879575
Molecular FormulaC20H18BrN5O2
Molecular Weight440.30 g/mol
Exact Mass439.06
IUPAC NameN-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C20H18BrN5O2/c21-14-4-3-5-16(12-14)28-19-9-6-15(13-22-19)23-20(27)17-7-8-18(25-24-17)26-10-1-2-11-26/h3-9,12-13H,1-2,10-11H2,(H,23,27)
InChIKeyVBDFTFVZQUJFFD-UHFFFAOYSA-N
XLogP4.28
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.30
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3-bromophenoxy)-3-pyridinyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 60613100
N-(3,5-dimethoxyphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 121027738
6-(azepan-1-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126354
6-(3-bromophenoxy)pyridazine-3-carboxylic acid
CID 60790683
3-amino-N-[6-(3-bromophenoxy)-3-pyridinyl]-2-methylbutanamide
CID 120503580
6-(azepan-1-yl)-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126420
N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778476
N-[6-(3-bromophenoxy)-3-pyridinyl]-2-propylsulfonylbenzamide
CID 60613046
N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628640
1-[6-(3-bromophenoxy)-3-pyridinyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 56556792
6-(azepan-1-yl)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109126365
6-piperidin-1-yl-N-(3,4,5-trimethoxyphenyl)pyridazine-3-carboxamide
CID 109112601

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 71879575) is N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(Nc1ccc(Oc2cccc(Br)c2)nc1)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is VBDFTFVZQUJFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN5O2/c21-14-4-3-5-16(12-14)28-19-9-6-15(13-22-19)23-20(27)17-7-8-18(25-24-17)26-10-1-2-11-26/h3-9,12-13H,1-2,10-11H2,(H,23,27).
What are the key properties of N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 440.30 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-bromophenoxy)-3-pyridinyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 71879575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).