N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide

C23H24N6O — CID 121072353

IUPACN-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide
SMILESCc1cc(C)n(-c2cc(NCCNC(=O)c3cccc4ccccc34)nc(C)n2)n1
InChIInChI=1S/C23H24N6O/c1-15-13-16(2)29(28-15)22-14-21(26-17(3)27-22)24-11-12-25-23(30)20-10-6-8-18-7-4-5-9-19(18)20/h4-10,13-14H,11-12H2,1-3H3,(H,25,30)(H,24,26,27)
InChIKeyZNXCWUFNNFRVCK-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.58
Rot. Bonds6

About N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide (PubChem CID 121072353) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide
PubChem CID121072353
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide
SMILESCc1cc(C)n(-c2cc(NCCNC(=O)c3cccc4ccccc34)nc(C)n2)n1
InChIInChI=1S/C23H24N6O/c1-15-13-16(2)29(28-15)22-14-21(26-17(3)27-22)24-11-12-25-23(30)20-10-6-8-18-7-4-5-9-19(18)20/h4-10,13-14H,11-12H2,1-3H3,(H,25,30)(H,24,26,27)
InChIKeyZNXCWUFNNFRVCK-UHFFFAOYSA-N
XLogP3.58
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.58
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

2-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-6-fluorobenzamide
CID 70703873
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3,5-dimethylbenzamide
CID 121074472
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]thiophene-2-carboxamide
CID 50947543
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]naphthalene-1-carboxamide
CID 50945106
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-4-ethylbenzamide
CID 121072362
1-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(2-fluorophenyl)urea
CID 121072684
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122290089
1-(2,3-dimethylphenyl)-3-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]urea
CID 121072688
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-fluorobenzamide
CID 16654494
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-2-(2-methylphenoxy)acetamide
CID 122290113
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122290203
1-(3,5-dimethylphenyl)-3-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]urea
CID 121072691

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide (CID 121072353) is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide is Cc1cc(C)n(-c2cc(NCCNC(=O)c3cccc4ccccc34)nc(C)n2)n1.
What is the InChIKey of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide?
The InChIKey is ZNXCWUFNNFRVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-15-13-16(2)29(28-15)22-14-21(26-17(3)27-22)24-11-12-25-23(30)20-10-6-8-18-7-4-5-9-19(18)20/h4-10,13-14H,11-12H2,1-3H3,(H,25,30)(H,24,26,27).
What are the key properties of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide?
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide has a molecular weight of 400.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]amino]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 121072353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).