N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide

C14H13N5O — CID 104669159

IUPACN-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N)cc2C#N)c(C)nn1
InChIInChI=1S/C14H13N5O/c1-8-5-12(9(2)19-18-8)14(20)17-13-4-3-11(16)6-10(13)7-15/h3-6H,16H2,1-2H3,(H,17,20)
InChIKeyBAXGACZFAFJITF-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.80
Rot. Bonds2

About N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide

N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide (PubChem CID 104669159) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide
PubChem CID104669159
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N)cc2C#N)c(C)nn1
InChIInChI=1S/C14H13N5O/c1-8-5-12(9(2)19-18-8)14(20)17-13-4-3-11(16)6-10(13)7-15/h3-6H,16H2,1-2H3,(H,17,20)
InChIKeyBAXGACZFAFJITF-UHFFFAOYSA-N
XLogP1.80
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide
CID 114818637
N-(4-amino-2-cyanophenyl)-2-bromo-4-chlorobenzamide
CID 107986297
N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
CID 113439096
N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide
CID 43548914
N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
CID 114367683
N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide
CID 63194249
N-(4-amino-2-cyanophenyl)-5-chloro-2-hydroxybenzamide
CID 43548896
N-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
2,4-diamino-N-(4-bromo-2-cyanophenyl)benzamide
CID 82702808
5-amino-N-(2-cyanophenyl)-2-methylpyridine-3-carboxamide
CID 54913836
N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide
CID 63724359

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide (CID 104669159) is N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(N)cc2C#N)c(C)nn1.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide?
The InChIKey is BAXGACZFAFJITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-8-5-12(9(2)19-18-8)14(20)17-13-4-3-11(16)6-10(13)7-15/h3-6H,16H2,1-2H3,(H,17,20).
What are the key properties of N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide?
N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-cyanophenyl)-3,6-dimethylpyridazine-4-carboxamide is sourced from PubChem (CID 104669159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).