N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide

C20H24N6O3 — CID 122355146

IUPACN-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)CN1
InChIInChI=1S/C20H24N6O3/c27-19-6-1-14(12-21-19)20(28)24-16-4-2-15(3-5-16)23-18-11-17(13-22-25-18)26-7-9-29-10-8-26/h2-5,11,13-14H,1,6-10,12H2,(H,21,27)(H,23,25)(H,24,28)
InChIKeyLDLKJAJQCBTFPA-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.52
Rot. Bonds5

About N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide

N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide (PubChem CID 122355146) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide
PubChem CID122355146
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC NameN-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)CN1
InChIInChI=1S/C20H24N6O3/c27-19-6-1-14(12-21-19)20(28)24-16-4-2-15(3-5-16)23-18-11-17(13-22-25-18)26-7-9-29-10-8-26/h2-5,11,13-14H,1,6-10,12H2,(H,21,27)(H,23,25)(H,24,28)
InChIKeyLDLKJAJQCBTFPA-UHFFFAOYSA-N
XLogP1.52
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide
CID 122326109
5-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carbonyl]piperidin-2-one
CID 122355421
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide
CID 122354898
4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355270
1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354960
1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354963
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]pentanamide
CID 122354899
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354983
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122355188
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
1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354979

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide (CID 122355146) is N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)CN1.
What is the InChIKey of N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is LDLKJAJQCBTFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c27-19-6-1-14(12-21-19)20(28)24-16-4-2-15(3-5-16)23-18-11-17(13-22-25-18)26-7-9-29-10-8-26/h2-5,11,13-14H,1,6-10,12H2,(H,21,27)(H,23,25)(H,24,28).
What are the key properties of N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide?
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 122355146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).