3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide

C15H25N5O — CID 120503791

IUPAC3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
SMILESCC(N)C(C)C(=O)N(C)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C15H25N5O/c1-11(12(2)16)15(21)19(3)13-6-5-9-20(10-13)14-7-4-8-17-18-14/h4,7-8,11-13H,5-6,9-10,16H2,1-3H3
InChIKeyDYZGFOXCGSCQAY-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.89
Rot. Bonds4

About 3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide

3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide (PubChem CID 120503791) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
PubChem CID120503791
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
SMILESCC(N)C(C)C(=O)N(C)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C15H25N5O/c1-11(12(2)16)15(21)19(3)13-6-5-9-20(10-13)14-7-4-8-17-18-14/h4,7-8,11-13H,5-6,9-10,16H2,1-3H3
InChIKeyDYZGFOXCGSCQAY-UHFFFAOYSA-N
XLogP0.89
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N,3,3-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide
CID 119879672
3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119879707
3-(2-aminophenyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide
CID 120613030
(2S,5R)-5-(aminomethyl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)oxolane-2-carboxamide
CID 120800140
3-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
CID 136517389
3-[(3,4-dimethylphenyl)methyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
CID 174344195
3-[(3,4-difluorophenyl)methyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 165119679
3-[2-(4-methoxyphenyl)ethyl]-1-methyl-1-(1-pyridazin-3-ylpiperidin-3-yl)urea
CID 174348265
3-[(2-fluoro-5-methylphenyl)methyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 174344336
N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)morpholine-2-carboxamide;dihydrochloride
CID 119879699
N-methyl-2-pyrazol-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridine-3-carboxamide
CID 126780099
4-methoxy-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 119879691

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide?
The IUPAC name of 3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide (CID 120503791) is 3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide is CC(N)C(C)C(=O)N(C)C1CCCN(c2cccnn2)C1.
What is the InChIKey of 3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide?
The InChIKey is DYZGFOXCGSCQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11(12(2)16)15(21)19(3)13-6-5-9-20(10-13)14-7-4-8-17-18-14/h4,7-8,11-13H,5-6,9-10,16H2,1-3H3.
What are the key properties of 3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide?
3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide has a molecular weight of 291.40 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)butanamide is sourced from PubChem (CID 120503791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).