N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide

C15H22ClN3O2 — CID 108520466

IUPACN-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCC(C)CN(CC(C)C)C(=O)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-10(2)8-19(9-11(3)4)15(21)14(20)18-12-6-5-7-17-13(12)16/h5-7,10-11H,8-9H2,1-4H3,(H,18,20)
InChIKeyHWIZVRKAYLDMOU-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.81
Rot. Bonds5

About N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide

N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide (PubChem CID 108520466) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide
PubChem CID108520466
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCC(C)CN(CC(C)C)C(=O)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-10(2)8-19(9-11(3)4)15(21)14(20)18-12-6-5-7-17-13(12)16/h5-7,10-11H,8-9H2,1-4H3,(H,18,20)
InChIKeyHWIZVRKAYLDMOU-UHFFFAOYSA-N
XLogP2.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloro-3-pyridinyl)-1,1-bis(2-methylpropyl)urea
CID 47435216
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
N'-acetyl-N'-(2-aminoethyl)-N-(2-chloro-3-pyridinyl)oxamide
CID 108520470
N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
CID 3523141
N',N'-bis(2-methylpropyl)-N-(1,3-thiazol-2-yl)oxamide
CID 47263950
N-(2-chloro-3-pyridinyl)-3-(propan-2-ylamino)propanamide
CID 60853808
N'-(2-chloro-3-pyridinyl)-N-[2-(diethylamino)ethyl]oxamide
CID 44902462
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
N-(2-chloro-3-pyridinyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60691996
3-bromo-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 107518180
N'-(2-chloro-3-pyridinyl)-N-(3-hydroxypropyl)oxamide
CID 44999728
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide (CID 108520466) is N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide is CC(C)CN(CC(C)C)C(=O)C(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide?
The InChIKey is HWIZVRKAYLDMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-10(2)8-19(9-11(3)4)15(21)14(20)18-12-6-5-7-17-13(12)16/h5-7,10-11H,8-9H2,1-4H3,(H,18,20).
What are the key properties of N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide?
N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide has a molecular weight of 311.81 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-N',N'-bis(2-methylpropyl)oxamide is sourced from PubChem (CID 108520466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).