N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide

C15H15N5O — CID 133415991

IUPACN-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Nc2ccc(C#N)nn2)cc1
InChIInChI=1S/C15H15N5O/c1-10(2)15(21)18-12-5-3-11(4-6-12)17-14-8-7-13(9-16)19-20-14/h3-8,10H,1-2H3,(H,17,20)(H,18,21)
InChIKeyPTNJALMJPNXYBP-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.69
Rot. Bonds4

About N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide

N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide (PubChem CID 133415991) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide
PubChem CID133415991
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Nc2ccc(C#N)nn2)cc1
InChIInChI=1S/C15H15N5O/c1-10(2)15(21)18-12-5-3-11(4-6-12)17-14-8-7-13(9-16)19-20-14/h3-8,10H,1-2H3,(H,17,20)(H,18,21)
InChIKeyPTNJALMJPNXYBP-UHFFFAOYSA-N
XLogP2.69
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethylanilino)pyridazine-3-carbonitrile
CID 163350318
N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide
CID 113048454
N-[4-[(6-cyanopyridazin-3-yl)amino]-2,6-dimethylphenyl]acetamide
CID 133419002
2-[(6-cyanopyridazin-3-yl)amino]propanamide
CID 130676267
N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide
CID 133396343
6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile
CID 163350337
2-methyl-N-[4-(4-propan-2-yloxyanilino)phenyl]propanamide
CID 112987815
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
CID 977438
6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile
CID 133419252
methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate
CID 133392173
N-[5-(4-fluoroanilino)-2-pyridinyl]-2-methylpropanamide
CID 113033078
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide
CID 50748403

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide (CID 133415991) is N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Nc2ccc(C#N)nn2)cc1.
What is the InChIKey of N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide?
The InChIKey is PTNJALMJPNXYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-10(2)15(21)18-12-5-3-11(4-6-12)17-14-8-7-13(9-16)19-20-14/h3-8,10H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide?
N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide has a molecular weight of 281.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 133415991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).