[4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone

C13H13N3O — CID 116548154

IUPAC[4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone
SMILESNCc1ccc(C(=O)c2cnccc2N)cc1
InChIInChI=1S/C13H13N3O/c14-7-9-1-3-10(4-2-9)13(17)11-8-16-6-5-12(11)15/h1-6,8H,7,14H2,(H2,15,16)
InChIKeyIMIBCACZWKIFCW-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.35
Rot. Bonds3

About [4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone

[4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone (PubChem CID 116548154) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone
PubChem CID116548154
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name[4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone
SMILESNCc1ccc(C(=O)c2cnccc2N)cc1
InChIInChI=1S/C13H13N3O/c14-7-9-1-3-10(4-2-9)13(17)11-8-16-6-5-12(11)15/h1-6,8H,7,14H2,(H2,15,16)
InChIKeyIMIBCACZWKIFCW-UHFFFAOYSA-N
XLogP1.35
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminophenyl)-(4-amino-3-pyridinyl)methanone
CID 116548721
(4-amino-3-pyridinyl)-(4-fluorophenyl)methanone
CID 11074797
[4-(aminomethyl)phenyl]-isoquinolin-8-ylmethanone
CID 103132930
[4-(aminomethyl)phenyl]-pyrazin-2-ylmethanone
CID 116548267
(4-amino-3-pyridinyl)-(3-bromo-4-fluorophenyl)methanone
CID 82809025
(4-amino-3-pyridinyl)-(4-bromo-3,5-dimethylphenyl)methanone
CID 114329651
4-aminopyridine-3-carbonitrile;(4-amino-3-pyridinyl)-phenylmethanone
CID 159414201
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63326435
2-(2-aminoethoxy)-1-(4-amino-3-pyridinyl)ethanone
CID 116590825
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
2-(aminomethyl)-1-(4-amino-3-pyridinyl)-2-methylbutan-1-one
CID 116610776
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone?
The IUPAC name of [4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone (CID 116548154) is [4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone.
What is the SMILES notation for [4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone?
The canonical SMILES for [4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone is NCc1ccc(C(=O)c2cnccc2N)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone?
The InChIKey is IMIBCACZWKIFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-7-9-1-3-10(4-2-9)13(17)11-8-16-6-5-12(11)15/h1-6,8H,7,14H2,(H2,15,16).
What are the key properties of [4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone?
[4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone has a molecular weight of 227.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]-(4-amino-3-pyridinyl)methanone is sourced from PubChem (CID 116548154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).