6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide

C22H23N5O2 — CID 155402904

IUPAC6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc(-c2ccccc2O)cc1-c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C22H23N5O2/c23-22(29)21-18(13-19(25-26-21)17-3-1-2-4-20(17)28)16-7-5-15(6-8-16)14-27-11-9-24-10-12-27/h1-8,13,24,28H,9-12,14H2,(H2,23,29)
InChIKeySYJSFQRVVLWKDQ-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.02
Rot. Bonds5

About 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide

6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 155402904) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide
PubChem CID155402904
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide
SMILESNC(=O)c1nnc(-c2ccccc2O)cc1-c1ccc(CN2CCNCC2)cc1
InChIInChI=1S/C22H23N5O2/c23-22(29)21-18(13-19(25-26-21)17-3-1-2-4-20(17)28)16-7-5-15(6-8-16)14-27-11-9-24-10-12-27/h1-8,13,24,28H,9-12,14H2,(H2,23,29)
InChIKeySYJSFQRVVLWKDQ-UHFFFAOYSA-N
XLogP2.02
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-amino-5-(1-benzylpiperidin-4-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperidin-4-ylpyridazin-3-yl)phenol;2,2,2-trifluoroacetic acid;dihydrochloride
CID 174057899
4-(2-chlorophenyl)-2-[4-(piperazin-1-ylmethyl)phenyl]-1H-pyrimidin-6-one;2,2,2-trifluoroacetic acid
CID 154890008
tert-butyl N-[3-[4-[[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]phenyl]methyl]piperazin-1-yl]propyl]carbamate
CID 155390943
2-[6-amino-5-(1-benzylpiperidin-4-yl)pyridazin-3-yl]phenol;2,2,2-trifluoroacetic acid
CID 137045898
2-[4-[(3-oxopiperazin-1-yl)methyl]phenyl]benzoic acid
CID 110097407
2-[6-amino-5-[4-[[4-(3-hydroxypropyl)phenyl]methyl]piperazin-1-yl]pyridazin-3-yl]phenol
CID 146522870
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]pyridin-1-ium-2-carboxamide
CID 101188105
2-[6-amino-5-[8-[3-(piperazin-1-ylmethyl)phenyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridazin-3-yl]phenol;hydrobromide
CID 164578458
azane;1-benzylpiperazine
CID 174866973
2-[6-amino-5-[4-[[4-(pyrrolidin-3-ylamino)phenyl]methyl]piperazin-1-yl]pyridazin-3-yl]phenol
CID 177309439
3-[4-(piperazin-1-ylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117399583
1-[(4-methyl-3-phenylphenyl)methyl]piperazine
CID 117420356

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide (CID 155402904) is 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide is NC(=O)c1nnc(-c2ccccc2O)cc1-c1ccc(CN2CCNCC2)cc1.
What is the InChIKey of 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is SYJSFQRVVLWKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c23-22(29)21-18(13-19(25-26-21)17-3-1-2-4-20(17)28)16-7-5-15(6-8-16)14-27-11-9-24-10-12-27/h1-8,13,24,28H,9-12,14H2,(H2,23,29).
What are the key properties of 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide?
6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)-4-[4-(piperazin-1-ylmethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 155402904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).