3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide

C14H16N4O — CID 106896210

IUPAC3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide
SMILESNC(CC(=O)NCc1cccnn1)c1ccccc1
InChIInChI=1S/C14H16N4O/c15-13(11-5-2-1-3-6-11)9-14(19)16-10-12-7-4-8-17-18-12/h1-8,13H,9-10,15H2,(H,16,19)
InChIKeyBZYZCHKIZZMPMT-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.18
Rot. Bonds5

About 3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide

3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide (PubChem CID 106896210) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide
PubChem CID106896210
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide
SMILESNC(CC(=O)NCc1cccnn1)c1ccccc1
InChIInChI=1S/C14H16N4O/c15-13(11-5-2-1-3-6-11)9-14(19)16-10-12-7-4-8-17-18-12/h1-8,13H,9-10,15H2,(H,16,19)
InChIKeyBZYZCHKIZZMPMT-UHFFFAOYSA-N
XLogP1.18
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-phenyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 63824817
2-chloro-N-(pyridazin-3-ylmethyl)acetamide
CID 106895472
2-(2-aminophenyl)-N-(pyridazin-3-ylmethyl)acetamide
CID 106894537
2-amino-3,3-dimethyl-N-(pyridazin-3-ylmethyl)butanamide
CID 106896139
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-amino-N-[(4-methylphenyl)methyl]-3-phenylpropanamide
CID 24705411
3-amino-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 43208733
3-amino-N-[[2-(methoxymethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119949726
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953108
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
2-(ethylamino)-N-(pyridazin-3-ylmethyl)acetamide
CID 106896183
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide?
The IUPAC name of 3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide (CID 106896210) is 3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide?
The canonical SMILES for 3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide is NC(CC(=O)NCc1cccnn1)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide?
The InChIKey is BZYZCHKIZZMPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-13(11-5-2-1-3-6-11)9-14(19)16-10-12-7-4-8-17-18-12/h1-8,13H,9-10,15H2,(H,16,19).
What are the key properties of 3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide?
3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide has a molecular weight of 256.31 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(pyridazin-3-ylmethyl)propanamide is sourced from PubChem (CID 106896210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).