N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide

C18H23N5O2 — CID 122354898

IUPACN-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2cc(N3CCOCC3)cnn2)cc1
InChIInChI=1S/C18H23N5O2/c1-2-3-18(24)21-15-6-4-14(5-7-15)20-17-12-16(13-19-22-17)23-8-10-25-11-9-23/h4-7,12-13H,2-3,8-11H2,1H3,(H,20,22)(H,21,24)
InChIKeyDFNRWTYDCVRPAR-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.80
Rot. Bonds6

About N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide

N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide (PubChem CID 122354898) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide
PubChem CID122354898
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2cc(N3CCOCC3)cnn2)cc1
InChIInChI=1S/C18H23N5O2/c1-2-3-18(24)21-15-6-4-14(5-7-15)20-17-12-16(13-19-22-17)23-8-10-25-11-9-23/h4-7,12-13H,2-3,8-11H2,1H3,(H,20,22)(H,21,24)
InChIKeyDFNRWTYDCVRPAR-UHFFFAOYSA-N
XLogP2.80
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]pentanamide
CID 122354899
1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354979
2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122355152
1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354960
4-ethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354914
1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354963
4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355270
2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354908
3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354917
2,5-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]furan-3-carboxamide
CID 122355081
1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354978
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122355188

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide?
The IUPAC name of N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide (CID 122354898) is N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide?
The canonical SMILES for N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide is CCCC(=O)Nc1ccc(Nc2cc(N3CCOCC3)cnn2)cc1.
What is the InChIKey of N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide?
The InChIKey is DFNRWTYDCVRPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-3-18(24)21-15-6-4-14(5-7-15)20-17-12-16(13-19-22-17)23-8-10-25-11-9-23/h4-7,12-13H,2-3,8-11H2,1H3,(H,20,22)(H,21,24).
What are the key properties of N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide?
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide has a molecular weight of 341.42 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide is sourced from PubChem (CID 122354898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).