N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide

C12H16N4O3 — CID 108528899

IUPACN'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide
SMILESCc1cccnc1NC(=O)C(=O)N(C=O)CCCN
InChIInChI=1S/C12H16N4O3/c1-9-4-2-6-14-10(9)15-11(18)12(19)16(8-17)7-3-5-13/h2,4,6,8H,3,5,7,13H2,1H3,(H,14,15,18)
InChIKeyMYCAEACEXFWVBO-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.34
Rot. Bonds5

About N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide

N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide (PubChem CID 108528899) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide
PubChem CID108528899
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide
SMILESCc1cccnc1NC(=O)C(=O)N(C=O)CCCN
InChIInChI=1S/C12H16N4O3/c1-9-4-2-6-14-10(9)15-11(18)12(19)16(8-17)7-3-5-13/h2,4,6,8H,3,5,7,13H2,1H3,(H,14,15,18)
InChIKeyMYCAEACEXFWVBO-UHFFFAOYSA-N
XLogP-0.34
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-aminopropyl)-N-(2,6-difluorophenyl)-N'-formyloxamide
CID 108522067
N'-(3-aminopropyl)-N-(4-bromo-3-methylphenyl)-N'-formyloxamide
CID 108528915
N'-(3-aminopropyl)-N-(4-fluorophenyl)-N'-formyloxamide
CID 108512615
N'-(3-aminopropyl)-N'-formyl-N-(4-iodophenyl)oxamide
CID 108528869
N'-(3-aminopropyl)-N-[3-(dimethylamino)phenyl]-N'-formyloxamide
CID 108528767
N'-ethyl-N-(3-methyl-2-pyridinyl)-N'-phenyloxamide
CID 108518697
1-(aminomethyl)-N-(3-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 80587648
1-methyl-3-(3-methyl-2-pyridinyl)urea
CID 17171367
N'-(3-methyl-2-pyridinyl)-N-propyloxamide
CID 44997048
N'-(3-methyl-2-pyridinyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108532495
N-(3-methyl-2-pyridinyl)prop-2-enamide
CID 43616345
N-(3-aminopropyl)-N-[3-(2,6-dimethylphenoxy)propylcarbamoyl]formamide
CID 108881756

Frequently Asked Questions

What is the IUPAC name of N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide?
The IUPAC name of N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide (CID 108528899) is N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide is Cc1cccnc1NC(=O)C(=O)N(C=O)CCCN.
What is the InChIKey of N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide?
The InChIKey is MYCAEACEXFWVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-9-4-2-6-14-10(9)15-11(18)12(19)16(8-17)7-3-5-13/h2,4,6,8H,3,5,7,13H2,1H3,(H,14,15,18).
What are the key properties of N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide?
N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide has a molecular weight of 264.28 g/mol, XLogP of -0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-aminopropyl)-N'-formyl-N-(3-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108528899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).