N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide

C13H20N4O2 — CID 44997594

IUPACN-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCCN(C)C)n1
InChIInChI=1S/C13H20N4O2/c1-10-6-4-7-11(15-10)16-13(19)12(18)14-8-5-9-17(2)3/h4,6-7H,5,8-9H2,1-3H3,(H,14,18)(H,15,16,19)
InChIKeyPWFBUADUBMXTBJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.40
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide

N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide (PubChem CID 44997594) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide
PubChem CID44997594
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCCN(C)C)n1
InChIInChI=1S/C13H20N4O2/c1-10-6-4-7-11(15-10)16-13(19)12(18)14-8-5-9-17(2)3/h4,6-7H,5,8-9H2,1-3H3,(H,14,18)(H,15,16,19)
InChIKeyPWFBUADUBMXTBJ-UHFFFAOYSA-N
XLogP0.40
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 108525224
N',N'-dimethyl-N-(6-methyl-2-pyridinyl)propane-1,3-diamine
CID 60876998
N-[3-(dimethylamino)propyl]-6-methylpyridazine-3-carboxamide
CID 110705198
N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
CID 7585187
N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997648
N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide
CID 44997660
N-(6-methyl-2-pyridinyl)-N'-propan-2-yloxamide
CID 44997659
N-(6-methyl-2-pyridinyl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519128
N-[3-(dimethylamino)propyl]-N'-(2-methoxyphenyl)oxamide
CID 7541651
1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883164
N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide
CID 108518949
N-(2-methylphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997672

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide (CID 44997594) is N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide is Cc1cccc(NC(=O)C(=O)NCCCN(C)C)n1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide?
The InChIKey is PWFBUADUBMXTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-6-4-7-11(15-10)16-13(19)12(18)14-8-5-9-17(2)3/h4,6-7H,5,8-9H2,1-3H3,(H,14,18)(H,15,16,19).
What are the key properties of N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide?
N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide has a molecular weight of 264.33 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N'-(6-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 44997594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).