N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide

C16H18N4O2 — CID 56738405

IUPACN'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide
SMILESCN(Cc1ccccc1)c1ncccc1CNC(=O)C(N)=O
InChIInChI=1S/C16H18N4O2/c1-20(11-12-6-3-2-4-7-12)15-13(8-5-9-18-15)10-19-16(22)14(17)21/h2-9H,10-11H2,1H3,(H2,17,21)(H,19,22)
InChIKeyTZCMBRYFVMPPTJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.82
Rot. Bonds5

About N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide

N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide (PubChem CID 56738405) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide.

Molecular Properties

Compound NameN'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide
PubChem CID56738405
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide
SMILESCN(Cc1ccccc1)c1ncccc1CNC(=O)C(N)=O
InChIInChI=1S/C16H18N4O2/c1-20(11-12-6-3-2-4-7-12)15-13(8-5-9-18-15)10-19-16(22)14(17)21/h2-9H,10-11H2,1H3,(H2,17,21)(H,19,22)
InChIKeyTZCMBRYFVMPPTJ-UHFFFAOYSA-N
XLogP0.82
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]butanamide
CID 56760437
2-amino-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 42594163
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 45253207
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 56753833
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 56747207
(2S)-1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 155904475
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-5-cyclopropyl-1,3-oxazole-4-carboxamide
CID 25303205
1-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-(1,1-dioxothiolan-3-yl)urea
CID 45192521
(3R)-N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-3-methylpiperidine-3-carboxamide
CID 95223621
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 42147194
1-benzyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]thiourea
CID 43076083
3-[(tert-butylamino)methyl]-N-methyl-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 62283984

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide?
The IUPAC name of N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide (CID 56738405) is N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide.
What is the SMILES notation for N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide?
The canonical SMILES for N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide is CN(Cc1ccccc1)c1ncccc1CNC(=O)C(N)=O.
What is the InChIKey of N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide?
The InChIKey is TZCMBRYFVMPPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-20(11-12-6-3-2-4-7-12)15-13(8-5-9-18-15)10-19-16(22)14(17)21/h2-9H,10-11H2,1H3,(H2,17,21)(H,19,22).
What are the key properties of N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide?
N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide has a molecular weight of 298.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide is sourced from PubChem (CID 56738405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).