N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide

C13H14N4O — CID 104671375

IUPACN-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide
SMILESNCc1ccccc1CNC(=O)c1ccnnc1
InChIInChI=1S/C13H14N4O/c14-7-10-3-1-2-4-11(10)8-15-13(18)12-5-6-16-17-9-12/h1-6,9H,7-8,14H2,(H,15,18)
InChIKeyJVSFDNFBLUAHGE-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.87
Rot. Bonds4

About N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide

N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide (PubChem CID 104671375) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide
PubChem CID104671375
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide
SMILESNCc1ccccc1CNC(=O)c1ccnnc1
InChIInChI=1S/C13H14N4O/c14-7-10-3-1-2-4-11(10)8-15-13(18)12-5-6-16-17-9-12/h1-6,9H,7-8,14H2,(H,15,18)
InChIKeyJVSFDNFBLUAHGE-UHFFFAOYSA-N
XLogP0.87
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-3,4,5-trifluorobenzamide
CID 63186443
3-N-[[2-(aminomethyl)phenyl]methyl]benzene-1,3-dicarboxamide
CID 62949892
N-[[2-(aminomethyl)phenyl]methyl]-4-ethylbenzamide
CID 62950627
N-[[2-(aminomethyl)phenyl]methyl]thiophene-3-carboxamide
CID 62950632
pyridazin-4-ylmethanamine;N-(pyridazin-4-ylmethyl)benzamide;dihydrochloride
CID 159382337
N-[[2-(aminomethyl)phenyl]methyl]-2-pyridin-4-ylacetamide
CID 62951184
[2-(aminomethyl)phenyl]methylurea
CID 62949906
2-[2-(pyridazine-4-carbonylamino)phenyl]acetic acid
CID 112555123
N-[(5-amino-2-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 104669190
N-[(5-bromo-2-fluorophenyl)methyl]pyridazine-4-carboxamide
CID 113264962
2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
CID 81317965
N-[(8-methylquinolin-5-yl)methyl]pyridazine-4-carboxamide
CID 90652525

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide (CID 104671375) is N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide is NCc1ccccc1CNC(=O)c1ccnnc1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide?
The InChIKey is JVSFDNFBLUAHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-7-10-3-1-2-4-11(10)8-15-13(18)12-5-6-16-17-9-12/h1-6,9H,7-8,14H2,(H,15,18).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide?
N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 104671375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).