N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide

C21H31N5O2 — CID 122321549

IUPACN-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide
SMILESO=C(NCCNc1cc(N2CCOCC2)cnn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H31N5O2/c27-20(21-11-15-7-16(12-21)9-17(8-15)13-21)23-2-1-22-19-10-18(14-24-25-19)26-3-5-28-6-4-26/h10,14-17H,1-9,11-13H2,(H,22,25)(H,23,27)
InChIKeyVIERGWJFWQZQJK-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.06
Rot. Bonds6

About N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide

N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide (PubChem CID 122321549) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide
PubChem CID122321549
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC NameN-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide
SMILESO=C(NCCNc1cc(N2CCOCC2)cnn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H31N5O2/c27-20(21-11-15-7-16(12-21)9-17(8-15)13-21)23-2-1-22-19-10-18(14-24-25-19)26-3-5-28-6-4-26/h10,14-17H,1-9,11-13H2,(H,22,25)(H,23,27)
InChIKeyVIERGWJFWQZQJK-UHFFFAOYSA-N
XLogP2.06
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]cyclobutanecarboxamide
CID 122321586
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122321653
5-fluoro-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]pyridine-3-carboxamide
CID 122321690
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-6-oxopyran-3-carboxamide
CID 122321526
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-1-benzothiophene-2-carboxamide
CID 122321620
1-(2-methylphenyl)-3-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321473
3-fluoro-4-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321616
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide
CID 122321432
1-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122321521
2-(2-methylphenoxy)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321557
2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321685
1-(4-methylphenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122321567

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide (CID 122321549) is N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide is O=C(NCCNc1cc(N2CCOCC2)cnn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide?
The InChIKey is VIERGWJFWQZQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c27-20(21-11-15-7-16(12-21)9-17(8-15)13-21)23-2-1-22-19-10-18(14-24-25-19)26-3-5-28-6-4-26/h10,14-17H,1-9,11-13H2,(H,22,25)(H,23,27).
What are the key properties of N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide?
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 122321549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).