N'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide

C14H19N5O3 — CID 3129985

IUPACN'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide
SMILESCCCNC(=O)CC(C)=NNC(=O)C(=O)Nc1ccccn1
InChIInChI=1S/C14H19N5O3/c1-3-7-16-12(20)9-10(2)18-19-14(22)13(21)17-11-6-4-5-8-15-11/h4-6,8H,3,7,9H2,1-2H3,(H,16,20)(H,19,22)(H,15,17,21)
InChIKeyVWFNYHAUGFHPFX-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.43
Rot. Bonds6

About N'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide

N'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide (PubChem CID 3129985) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is N'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide.

Molecular Properties

Compound NameN'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide
PubChem CID3129985
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC NameN'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide
SMILESCCCNC(=O)CC(C)=NNC(=O)C(=O)Nc1ccccn1
InChIInChI=1S/C14H19N5O3/c1-3-7-16-12(20)9-10(2)18-19-14(22)13(21)17-11-6-4-5-8-15-11/h4-6,8H,3,7,9H2,1-2H3,(H,16,20)(H,19,22)(H,15,17,21)
InChIKeyVWFNYHAUGFHPFX-UHFFFAOYSA-N
XLogP0.43
TPSA112.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide?
The IUPAC name of N'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide (CID 3129985) is N'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide.
What is the SMILES notation for N'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide?
The canonical SMILES for N'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide is CCCNC(=O)CC(C)=NNC(=O)C(=O)Nc1ccccn1.
What is the InChIKey of N'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide?
The InChIKey is VWFNYHAUGFHPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-3-7-16-12(20)9-10(2)18-19-14(22)13(21)17-11-6-4-5-8-15-11/h4-6,8H,3,7,9H2,1-2H3,(H,16,20)(H,19,22)(H,15,17,21).
What are the key properties of N'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide?
N'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide has a molecular weight of 305.34 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]-N-pyridin-2-yloxamide is sourced from PubChem (CID 3129985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).