(2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide

C14H16N4O — CID 104984888

IUPAC(2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)Nc1cccnn1
InChIInChI=1S/C14H16N4O/c15-12(9-8-11-5-2-1-3-6-11)14(19)17-13-7-4-10-16-18-13/h1-7,10,12H,8-9,15H2,(H,17,18,19)/t12-/m0/s1
InChIKeyRONCJOGIIDJCTG-LBPRGKRZSA-N
MW256.31 g/mol
LogP1.38
Rot. Bonds5

About (2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide

(2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide (PubChem CID 104984888) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide
PubChem CID104984888
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide
SMILESN[C@@H](CCc1ccccc1)C(=O)Nc1cccnn1
InChIInChI=1S/C14H16N4O/c15-12(9-8-11-5-2-1-3-6-11)14(19)17-13-7-4-10-16-18-13/h1-7,10,12H,8-9,15H2,(H,17,18,19)/t12-/m0/s1
InChIKeyRONCJOGIIDJCTG-LBPRGKRZSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(6-chloropyridazin-3-yl)-4-phenylbutanamide
CID 104984882
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-phenylbutanamide
CID 104984386
(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
(2S)-2-amino-N-(2-methyltetrazol-5-yl)-4-phenylbutanamide
CID 104984683
2-methyl-N-pyridazin-3-ylpropanamide
CID 126995895
ethyl 2-amino-3-oxo-3-(pyridazin-3-ylamino)propanoate
CID 116786842
2-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 114924624
2-amino-N-(2-chlorophenyl)-4-phenylbutanamide
CID 114924914
(2S)-2-amino-N-(4-chloro-3-pyridinyl)-4-phenylbutanamide
CID 104984746
2-amino-N-[2-(carbamoylamino)ethyl]-4-phenylbutanamide
CID 114929288
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide?
The IUPAC name of (2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide (CID 104984888) is (2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide?
The canonical SMILES for (2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide is N[C@@H](CCc1ccccc1)C(=O)Nc1cccnn1.
What is the InChIKey of (2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide?
The InChIKey is RONCJOGIIDJCTG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H16N4O/c15-12(9-8-11-5-2-1-3-6-11)14(19)17-13-7-4-10-16-18-13/h1-7,10,12H,8-9,15H2,(H,17,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide?
(2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide has a molecular weight of 256.31 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-phenyl-N-pyridazin-3-ylbutanamide is sourced from PubChem (CID 104984888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).