N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide

C16H16N4O — CID 104623868

IUPACN-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C16H16N4O/c1-3-15-14(7-11(2)19-20-15)16(21)18-10-13-6-4-5-12(8-13)9-17/h4-8H,3,10H2,1-2H3,(H,18,21)
InChIKeyDYFAIONLKDUANB-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.15
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide

N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104623868) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104623868
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCc1cccc(C#N)c1
InChIInChI=1S/C16H16N4O/c1-3-15-14(7-11(2)19-20-15)16(21)18-10-13-6-4-5-12(8-13)9-17/h4-8H,3,10H2,1-2H3,(H,18,21)
InChIKeyDYFAIONLKDUANB-UHFFFAOYSA-N
XLogP2.15
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283577
N-[[4-(bromomethyl)phenyl]methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107233817
3-ethyl-N-[(2-hydroxyphenyl)methyl]-6-methylpyridazine-4-carboxamide
CID 104625709
3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
CID 61101981
2-bromo-N-[(3-cyanophenyl)methyl]-3-methylbenzamide
CID 103853121
N-[(3-cyanophenyl)methyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81244932
N-[(3-cyanophenyl)methyl]-2-(ethylamino)benzamide
CID 62314064
5-amino-N-[(3-cyanophenyl)methyl]-2,4-dimethylbenzamide
CID 102705125
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651
3-bromo-N-[(3-cyanophenyl)methyl]-5-methylbenzamide
CID 104851511
N-[(3-cyanophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82797784
N-[(3-cyanophenyl)methyl]-4-sulfanylbenzamide
CID 107028201

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104623868) is N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NCc1cccc(C#N)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is DYFAIONLKDUANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-3-15-14(7-11(2)19-20-15)16(21)18-10-13-6-4-5-12(8-13)9-17/h4-8H,3,10H2,1-2H3,(H,18,21).
What are the key properties of N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide?
N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104623868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).