N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide

C21H21ClN4O2 — CID 109109575

IUPACN-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
SMILESCC(C)Nc1ccc(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)nn1
InChIInChI=1S/C21H21ClN4O2/c1-14(2)23-20-12-11-19(25-26-20)21(27)24-17-7-9-18(10-8-17)28-13-15-3-5-16(22)6-4-15/h3-12,14H,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyXJHYUTFCSBXEHT-UHFFFAOYSA-N
MW396.88 g/mol
LogP4.78
Rot. Bonds7

About N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide

N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide (PubChem CID 109109575) has the molecular formula C21H21ClN4O2 and a molecular weight of 396.88 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
PubChem CID109109575
Molecular FormulaC21H21ClN4O2
Molecular Weight396.88 g/mol
Exact Mass396.14
IUPAC NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
SMILESCC(C)Nc1ccc(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)nn1
InChIInChI=1S/C21H21ClN4O2/c1-14(2)23-20-12-11-19(25-26-20)21(27)24-17-7-9-18(10-8-17)28-13-15-3-5-16(22)6-4-15/h3-12,14H,13H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyXJHYUTFCSBXEHT-UHFFFAOYSA-N
XLogP4.78
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.88
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109119854
(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
CID 22690589
N-(4-phenylmethoxyphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110344
6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
CID 109114229
N-[4-[(4-chlorophenyl)methoxy]phenyl]-3-(propan-2-ylamino)propanamide
CID 109011723
N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide
CID 108986374
3-N-[4-[(4-chlorophenyl)methoxy]phenyl]-5-N-propan-2-yl-1,2,4-triazine-3,5-diamine
CID 112938867
N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84549660
6-[(4-chlorophenyl)methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109119831
N-(3,5-dimethylphenyl)-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109497
N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-(2-methylpropyl)propanediamide
CID 108941716
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide (CID 109109575) is N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide is CC(C)Nc1ccc(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)nn1.
What is the InChIKey of N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
The InChIKey is XJHYUTFCSBXEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2/c1-14(2)23-20-12-11-19(25-26-20)21(27)24-17-7-9-18(10-8-17)28-13-15-3-5-16(22)6-4-15/h3-12,14H,13H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide?
N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide has a molecular weight of 396.88 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109109575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).