3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide

C10H13N5O — CID 106915460

IUPAC3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nnccc1C#N
InChIInChI=1S/C10H13N5O/c1-12-9(16)4-6-15(2)10-8(7-11)3-5-13-14-10/h3,5H,4,6H2,1-2H3,(H,12,16)
InChIKeyOSEICGADTHIJOG-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.08
Rot. Bonds4

About 3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide

3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide (PubChem CID 106915460) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide
PubChem CID106915460
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nnccc1C#N
InChIInChI=1S/C10H13N5O/c1-12-9(16)4-6-15(2)10-8(7-11)3-5-13-14-10/h3,5H,4,6H2,1-2H3,(H,12,16)
InChIKeyOSEICGADTHIJOG-UHFFFAOYSA-N
XLogP-0.08
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-amino-3-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106914216
3-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-4-carbonitrile
CID 80510544
3-[(2-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 106915466
3-(4-amino-3-cyano-N-methylanilino)-N-methylpropanamide
CID 106914203
3-[(2-cyano-3-pyridinyl)-methylamino]-N-methylpropanamide
CID 106915472
2-[(4-cyanopyridazin-3-yl)-ethylamino]-N,N-dimethylacetamide
CID 80510309
3-(dipropylamino)pyridazine-4-carbonitrile
CID 80508670
2-[(4-cyanopyridazin-3-yl)-ethylamino]-N-propan-2-ylacetamide
CID 80510292
3-[(5-amino-6-cyano-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 106914232
3-[(3-cyano-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 103829256
3-[(2-fluorophenyl)methyl-methylamino]pyridazine-4-carbonitrile
CID 80510429
2-[(3-amino-4-cyano-2-pyridinyl)-propylamino]-N-methylacetamide
CID 82817459

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide (CID 106915460) is 3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1nnccc1C#N.
What is the InChIKey of 3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide?
The InChIKey is OSEICGADTHIJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-12-9(16)4-6-15(2)10-8(7-11)3-5-13-14-10/h3,5H,4,6H2,1-2H3,(H,12,16).
What are the key properties of 3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide?
3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide has a molecular weight of 219.25 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyanopyridazin-3-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106915460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).