N'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide

C14H20N4O2 — CID 6290649

IUPACN'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide
SMILESCCCC/C(C)=N\NC(=O)C(=O)NCc1ccncc1
InChIInChI=1S/C14H20N4O2/c1-3-4-5-11(2)17-18-14(20)13(19)16-10-12-6-8-15-9-7-12/h6-9H,3-5,10H2,1-2H3,(H,16,19)(H,18,20)/b17-11-
InChIKeySTMDGRHZXCHVQO-BOPFTXTBSA-N
MW276.34 g/mol
LogP1.38
Rot. Bonds6

About N'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide

N'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide (PubChem CID 6290649) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide
PubChem CID6290649
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide
SMILESCCCC/C(C)=N\NC(=O)C(=O)NCc1ccncc1
InChIInChI=1S/C14H20N4O2/c1-3-4-5-11(2)17-18-14(20)13(19)16-10-12-6-8-15-9-7-12/h6-9H,3-5,10H2,1-2H3,(H,16,19)(H,18,20)/b17-11-
InChIKeySTMDGRHZXCHVQO-BOPFTXTBSA-N
XLogP1.38
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
N-(2-methoxyethyl)-N'-(pyridin-4-ylmethyl)oxamide
CID 5077077
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
1-pyridin-4-yl-N-[5-(pyridin-4-ylmethylhydrazinylidene)hexan-2-ylideneamino]methanamine
CID 157010811
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394
N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide
CID 2855495
N-(2-chlorophenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide
CID 94846586
N'-(pyridin-4-ylmethyl)octadecanehydrazide
CID 154115968
2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide
CID 135208415
2-ethyl-N-(pyridin-4-ylmethyl)hexanamide
CID 3492228
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 7584760

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
The IUPAC name of N'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide (CID 6290649) is N'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide.
What is the SMILES notation for N'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
The canonical SMILES for N'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide is CCCC/C(C)=N\NC(=O)C(=O)NCc1ccncc1.
What is the InChIKey of N'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
The InChIKey is STMDGRHZXCHVQO-BOPFTXTBSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-4-5-11(2)17-18-14(20)13(19)16-10-12-6-8-15-9-7-12/h6-9H,3-5,10H2,1-2H3,(H,16,19)(H,18,20)/b17-11-.
What are the key properties of N'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide?
N'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide has a molecular weight of 276.34 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-hexan-2-ylideneamino]-N-(pyridin-4-ylmethyl)oxamide is sourced from PubChem (CID 6290649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).