N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide

C14H16N4O — CID 104668912

IUPACN-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide
SMILESCCN(C(=O)c1ccnnc1)c1ccc(CN)cc1
InChIInChI=1S/C14H16N4O/c1-2-18(13-5-3-11(9-15)4-6-13)14(19)12-7-8-16-17-10-12/h3-8,10H,2,9,15H2,1H3
InChIKeyIGSYADXKIJZAGN-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.60
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide

N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide (PubChem CID 104668912) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide
PubChem CID104668912
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide
SMILESCCN(C(=O)c1ccnnc1)c1ccc(CN)cc1
InChIInChI=1S/C14H16N4O/c1-2-18(13-5-3-11(9-15)4-6-13)14(19)12-7-8-16-17-10-12/h3-8,10H,2,9,15H2,1H3
InChIKeyIGSYADXKIJZAGN-UHFFFAOYSA-N
XLogP1.60
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide (CID 104668912) is N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide is CCN(C(=O)c1ccnnc1)c1ccc(CN)cc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide?
The InChIKey is IGSYADXKIJZAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-18(13-5-3-11(9-15)4-6-13)14(19)12-7-8-16-17-10-12/h3-8,10H,2,9,15H2,1H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide?
N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-ethylpyridazine-4-carboxamide is sourced from PubChem (CID 104668912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).