N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide

C12H17N3O3 — CID 3113992

IUPACN-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
SMILESCOCCCNC(=O)C(=O)NCc1cccnc1
InChIInChI=1S/C12H17N3O3/c1-18-7-3-6-14-11(16)12(17)15-9-10-4-2-5-13-8-10/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,16)(H,15,17)
InChIKeySJXPDSSHPOLAOD-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.15
Rot. Bonds6

About N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide

N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide (PubChem CID 3113992) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
PubChem CID3113992
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
SMILESCOCCCNC(=O)C(=O)NCc1cccnc1
InChIInChI=1S/C12H17N3O3/c1-18-7-3-6-14-11(16)12(17)15-9-10-4-2-5-13-8-10/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,16)(H,15,17)
InChIKeySJXPDSSHPOLAOD-UHFFFAOYSA-N
XLogP-0.15
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.15
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-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843
N-(2-acetamidoethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 108506762
N-(2-hydroxyethyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3136535
4-N-(3-methoxypropyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109082510
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108506711
N-(2-methoxyethyl)-2-pyridin-3-ylacetamide
CID 110697049
N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide
CID 2212242
N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide
CID 108506373
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
N-[2-(4-hydroxyphenyl)ethyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108502983

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide?
The IUPAC name of N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide (CID 3113992) is N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide.
What is the SMILES notation for N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide?
The canonical SMILES for N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide is COCCCNC(=O)C(=O)NCc1cccnc1.
What is the InChIKey of N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide?
The InChIKey is SJXPDSSHPOLAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-7-3-6-14-11(16)12(17)15-9-10-4-2-5-13-8-10/h2,4-5,8H,3,6-7,9H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide?
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide has a molecular weight of 251.29 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide is sourced from PubChem (CID 3113992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).