N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide

C14H21N3O3 — CID 108525224

IUPACN'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCCOC(C)C)n1
InChIInChI=1S/C14H21N3O3/c1-10(2)20-9-5-8-15-13(18)14(19)17-12-7-4-6-11(3)16-12/h4,6-7,10H,5,8-9H2,1-3H3,(H,15,18)(H,16,17,19)
InChIKeyLBWZBIFDBNEGQB-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.26
Rot. Bonds6

About N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide

N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 108525224) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID108525224
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCCOC(C)C)n1
InChIInChI=1S/C14H21N3O3/c1-10(2)20-9-5-8-15-13(18)14(19)17-12-7-4-6-11(3)16-12/h4,6-7,10H,5,8-9H2,1-3H3,(H,15,18)(H,16,17,19)
InChIKeyLBWZBIFDBNEGQB-UHFFFAOYSA-N
XLogP1.26
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.26
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'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 2271541
N-(6-methyl-2-pyridinyl)-N'-propan-2-yloxamide
CID 44997659
N'-[(3-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 2174276
N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 3126766
6-(3-propan-2-yloxypropylamino)pyridine-2-carboxylic acid
CID 122052680
N'-(1H-indazol-6-yl)-N-(3-propan-2-yloxypropyl)oxamide
CID 108525259
3-[[N'-methyl-N-[3-(2-methylpropoxy)propyl]carbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111401326
N-(furan-2-ylmethyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997648
N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 126147164
N'-tert-butyl-N-(6-methyl-2-pyridinyl)oxamide
CID 44997660
N-[[3-(aminomethyl)phenyl]methyl]-N'-(6-methyl-2-pyridinyl)oxamide
CID 108518949
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544

Frequently Asked Questions

What is the IUPAC name of N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide (CID 108525224) is N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide is Cc1cccc(NC(=O)C(=O)NCCCOC(C)C)n1.
What is the InChIKey of N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is LBWZBIFDBNEGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)20-9-5-8-15-13(18)14(19)17-12-7-4-6-11(3)16-12/h4,6-7,10H,5,8-9H2,1-3H3,(H,15,18)(H,16,17,19).
What are the key properties of N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide?
N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 279.34 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methyl-2-pyridinyl)-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 108525224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).