N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide

C21H23N5O — CID 122321030

IUPACN-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCNc1cc(N2CCCC2)cnn1)c1ccc2ccccc2c1
InChIInChI=1S/C21H23N5O/c27-21(18-8-7-16-5-1-2-6-17(16)13-18)23-10-9-22-20-14-19(15-24-25-20)26-11-3-4-12-26/h1-2,5-8,13-15H,3-4,9-12H2,(H,22,25)(H,23,27)
InChIKeyZPAZUUNXWXASGB-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.07
Rot. Bonds6

About N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide

N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide (PubChem CID 122321030) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide
PubChem CID122321030
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide
SMILESO=C(NCCNc1cc(N2CCCC2)cnn1)c1ccc2ccccc2c1
InChIInChI=1S/C21H23N5O/c27-21(18-8-7-16-5-1-2-6-17(16)13-18)23-10-9-22-20-14-19(15-24-25-20)26-11-3-4-12-26/h1-2,5-8,13-15H,3-4,9-12H2,(H,22,25)(H,23,27)
InChIKeyZPAZUUNXWXASGB-UHFFFAOYSA-N
XLogP3.07
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 122321037
N-[2-oxo-2-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]benzamide
CID 122321055
N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-4-thiophen-2-ylbenzamide
CID 122321244
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321189
3-fluoro-4-methyl-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]benzamide
CID 122321616
5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122321196
2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321167
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-(3-methoxyphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321061
N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]naphthalene-2-carboxamide
CID 122308040
1-(2,3-dimethylphenyl)-3-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]urea
CID 122321078

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide (CID 122321030) is N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide is O=C(NCCNc1cc(N2CCCC2)cnn1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide?
The InChIKey is ZPAZUUNXWXASGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(18-8-7-16-5-1-2-6-17(16)13-18)23-10-9-22-20-14-19(15-24-25-20)26-11-3-4-12-26/h1-2,5-8,13-15H,3-4,9-12H2,(H,22,25)(H,23,27).
What are the key properties of N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide?
N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 122321030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).