N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide

C16H18N4O2 — CID 108518949

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCc2cccc(CN)c2)n1
InChIInChI=1S/C16H18N4O2/c1-11-4-2-7-14(19-11)20-16(22)15(21)18-10-13-6-3-5-12(8-13)9-17/h2-8H,9-10,17H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyPZAWVZRGYHTTPA-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.10
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide

N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide (PubChem CID 108518949) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide
PubChem CID108518949
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCc2cccc(CN)c2)n1
InChIInChI=1S/C16H18N4O2/c1-11-4-2-7-14(19-11)20-16(22)15(21)18-10-13-6-3-5-12(8-13)9-17/h2-8H,9-10,17H2,1H3,(H,18,21)(H,19,20,22)
InChIKeyPZAWVZRGYHTTPA-UHFFFAOYSA-N
XLogP1.10
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997648
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide
CID 108519011
N'-(3-acetylphenyl)-N-[[3-(aminomethyl)phenyl]methyl]oxamide
CID 108514930
N-[[3-(aminomethyl)phenyl]methyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508692
N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997594
N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide
CID 108506373
ethane;ethyl N-[[3-(aminomethyl)phenyl]methyl]carbamate
CID 142192151
N-[[3-(aminomethyl)phenyl]methyl]prop-1-en-2-amine
CID 20647301
N-[[3-(aminomethyl)phenyl]methyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 108506084
N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502199
N-(6-methyl-2-pyridinyl)-N'-propan-2-yloxamide
CID 44997659

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide (CID 108518949) is N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide is Cc1cccc(NC(=O)C(=O)NCc2cccc(CN)c2)n1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide?
The InChIKey is PZAWVZRGYHTTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-4-2-7-14(19-11)20-16(22)15(21)18-10-13-6-3-5-12(8-13)9-17/h2-8H,9-10,17H2,1H3,(H,18,21)(H,19,20,22).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide?
N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide has a molecular weight of 298.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108518949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).