(2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide

C11H17ClN4O — CID 66568908

IUPAC(2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(C)Cc1ccc(Cl)nn1
InChIInChI=1S/C11H17ClN4O/c1-7(2)10(13)11(17)16(3)6-8-4-5-9(12)15-14-8/h4-5,7,10H,6,13H2,1-3H3/t10-/m0/s1
InChIKeyRVDJFDWZNIVELV-JTQLQIEISA-N
MW256.74 g/mol
LogP1.07
Rot. Bonds4

About (2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide

(2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide (PubChem CID 66568908) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is (2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide
PubChem CID66568908
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name(2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(C)Cc1ccc(Cl)nn1
InChIInChI=1S/C11H17ClN4O/c1-7(2)10(13)11(17)16(3)6-8-4-5-9(12)15-14-8/h4-5,7,10H,6,13H2,1-3H3/t10-/m0/s1
InChIKeyRVDJFDWZNIVELV-JTQLQIEISA-N
XLogP1.07
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N,3-dimethyl-N-(1,2-oxazol-3-ylmethyl)butanamide;hydrochloride
CID 119330899
N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutan-2-amine
CID 104513539
(2R)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylbutanamide
CID 79013221
N-[(6-chloropyridazin-3-yl)methyl]-N,3,3-trimethylbutan-2-amine
CID 104513657
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263
2-amino-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N,3-dimethylbutanamide
CID 77144571
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
CID 79013489
(2S)-2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 61165388
(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 79011463
2-[(6-chloropyridazin-3-yl)methyl-methylamino]-N-(2-methylpropyl)acetamide
CID 104513833
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494
(2R)-2-amino-N,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 79011600

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide (CID 66568908) is (2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide is CC(C)[C@H](N)C(=O)N(C)Cc1ccc(Cl)nn1.
What is the InChIKey of (2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide?
The InChIKey is RVDJFDWZNIVELV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-7(2)10(13)11(17)16(3)6-8-4-5-9(12)15-14-8/h4-5,7,10H,6,13H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide?
(2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide has a molecular weight of 256.74 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(6-chloropyridazin-3-yl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 66568908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).