N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide

C16H20N4O — CID 104668847

IUPACN-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(CCCN)c2ccccc2)c(C)nn1
InChIInChI=1S/C16H20N4O/c1-12-11-15(13(2)19-18-12)16(21)20(10-6-9-17)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,17H2,1-2H3
InChIKeyACVHQXFBMXEFIN-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.09
Rot. Bonds5

About N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide

N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide (PubChem CID 104668847) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide
PubChem CID104668847
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(CCCN)c2ccccc2)c(C)nn1
InChIInChI=1S/C16H20N4O/c1-12-11-15(13(2)19-18-12)16(21)20(10-6-9-17)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,17H2,1-2H3
InChIKeyACVHQXFBMXEFIN-UHFFFAOYSA-N
XLogP2.09
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104668867
N-(3-aminopropyl)-2-hydroxy-4-methyl-N-phenylbenzamide
CID 43135936
N-(3-aminopropyl)-2-hydroxy-N-phenylbenzamide
CID 16791949
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)benzamide
CID 28766933
N-(3-aminopropyl)-2,3-difluoro-N-phenylbenzamide
CID 62648465
N-(3-aminopropyl)-3-hydroxy-N-phenylpyridine-4-carboxamide
CID 81445429
1-(3-aminopropyl)-3-butyl-1-phenylurea
CID 43135983
N-(3-aminopropyl)-2-methyl-N-(3-methylphenyl)furan-3-carboxamide
CID 43135957
N-(3-aminopropyl)-N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801026
N,3,6-trimethyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671510
5-amino-N-butyl-2-fluoro-N-phenylbenzamide
CID 62056959
2-[3-aminopropyl(methyl)amino]-N-ethyl-N-phenylacetamide
CID 81494005

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide (CID 104668847) is N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide is Cc1cc(C(=O)N(CCCN)c2ccccc2)c(C)nn1.
What is the InChIKey of N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide?
The InChIKey is ACVHQXFBMXEFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-11-15(13(2)19-18-12)16(21)20(10-6-9-17)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,17H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide?
N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide is sourced from PubChem (CID 104668847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).