N-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide

C21H16N6O2 — CID 157042670

IUPACN-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide
SMILESO=C(Nc1cc(Oc2ccnnc2)ccn1)c1cccc(Nc2ccncc2)c1
InChIInChI=1S/C21H16N6O2/c28-21(15-2-1-3-17(12-15)26-16-4-8-22-9-5-16)27-20-13-18(6-10-23-20)29-19-7-11-24-25-14-19/h1-14H,(H,22,26)(H,23,27,28)
InChIKeyJWNGOTZZZGQXCB-UHFFFAOYSA-N
MW384.40 g/mol
LogP4.05
Rot. Bonds6

About N-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide

N-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide (PubChem CID 157042670) has the molecular formula C21H16N6O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is N-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide
PubChem CID157042670
Molecular FormulaC21H16N6O2
Molecular Weight384.40 g/mol
Exact Mass384.13
IUPAC NameN-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide
SMILESO=C(Nc1cc(Oc2ccnnc2)ccn1)c1cccc(Nc2ccncc2)c1
InChIInChI=1S/C21H16N6O2/c28-21(15-2-1-3-17(12-15)26-16-4-8-22-9-5-16)27-20-13-18(6-10-23-20)29-19-7-11-24-25-14-19/h1-14H,(H,22,26)(H,23,27,28)
InChIKeyJWNGOTZZZGQXCB-UHFFFAOYSA-N
XLogP4.05
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-nitro-N-(4-pyridazin-4-yloxy-2-pyridinyl)benzamide
CID 157043039
3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide
CID 170002489
3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide
CID 157042984
3-[(6-fluoroquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157042860
N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide
CID 39954034
N-(4-pyridin-4-yloxyphenyl)-3-(quinolin-4-ylamino)benzamide
CID 166832857
6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide
CID 23585029
3-[(6-cyanoquinolin-4-yl)amino]-N-(3-pyridin-4-yloxyphenyl)benzamide
CID 157043187
3-chloro-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337765
tert-butyl N-[3-[(3-pyridin-4-yloxyphenyl)carbamoyl]phenyl]carbamate
CID 157042654
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide
CID 58902443
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157043383

Frequently Asked Questions

What is the IUPAC name of N-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide?
The IUPAC name of N-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide (CID 157042670) is N-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide.
What is the SMILES notation for N-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide?
The canonical SMILES for N-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide is O=C(Nc1cc(Oc2ccnnc2)ccn1)c1cccc(Nc2ccncc2)c1.
What is the InChIKey of N-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide?
The InChIKey is JWNGOTZZZGQXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O2/c28-21(15-2-1-3-17(12-15)26-16-4-8-22-9-5-16)27-20-13-18(6-10-23-20)29-19-7-11-24-25-14-19/h1-14H,(H,22,26)(H,23,27,28).
What are the key properties of N-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide?
N-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide has a molecular weight of 384.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide is sourced from PubChem (CID 157042670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).