N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide

C22H21N5O — CID 109125140

IUPACN-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(Nc2cccc(C#N)c2)nn1
InChIInChI=1S/C22H21N5O/c1-16(2)27(15-17-7-4-3-5-8-17)22(28)20-11-12-21(26-25-20)24-19-10-6-9-18(13-19)14-23/h3-13,16H,15H2,1-2H3,(H,24,26)
InChIKeyIDBKINXMOIRYTH-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.14
Rot. Bonds6

About N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide

N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 109125140) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID109125140
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccc(Nc2cccc(C#N)c2)nn1
InChIInChI=1S/C22H21N5O/c1-16(2)27(15-17-7-4-3-5-8-17)22(28)20-11-12-21(26-25-20)24-19-10-6-9-18(13-19)14-23/h3-13,16H,15H2,1-2H3,(H,24,26)
InChIKeyIDBKINXMOIRYTH-UHFFFAOYSA-N
XLogP4.14
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109125118
N-benzyl-2-(3-cyanoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311728
N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125125
6-(3-cyanoanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126285
N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109124715
3-[[6-(4-benzylpiperazine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
CID 109123091
N-benzyl-6-(3-chloroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112846465
6-(3-cyanoanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122198
6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109117831
3-[[6-(4-benzylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzonitrile
CID 109125780
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128178

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide (CID 109125140) is N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccc(Nc2cccc(C#N)c2)nn1.
What is the InChIKey of N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is IDBKINXMOIRYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-16(2)27(15-17-7-4-3-5-8-17)22(28)20-11-12-21(26-25-20)24-19-10-6-9-18(13-19)14-23/h3-13,16H,15H2,1-2H3,(H,24,26).
What are the key properties of N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide?
N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(3-cyanoanilino)-N-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 109125140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).