N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide

C13H18N4O2 — CID 3313414

IUPACN-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide
SMILESCCCNC(=O)CC(C)=NNC(=O)c1cccnc1
InChIInChI=1S/C13H18N4O2/c1-3-6-15-12(18)8-10(2)16-17-13(19)11-5-4-7-14-9-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyJDBJGKVKZGLLRV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.10
Rot. Bonds6

About N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide

N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide (PubChem CID 3313414) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide
PubChem CID3313414
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide
SMILESCCCNC(=O)CC(C)=NNC(=O)c1cccnc1
InChIInChI=1S/C13H18N4O2/c1-3-6-15-12(18)8-10(2)16-17-13(19)11-5-4-7-14-9-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyJDBJGKVKZGLLRV-UHFFFAOYSA-N
XLogP1.10
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(3-iodoanilino)-4-oxobutan-2-ylidene]amino]pyridine-3-carboxamide
CID 3611093
N-[(Z)-4-phenylbutan-2-ylideneamino]pyridine-3-carboxamide
CID 9059924
N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]thiophene-2-carboxamide
CID 3108534
N-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111227620
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4683801
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[(E)-1-phenylhexylideneamino]pyridine-3-carboxamide
CID 5337549
N-[[4-[2-chloro-5-(trifluoromethyl)anilino]-4-oxobutan-2-ylidene]amino]pyridine-3-carboxamide
CID 5160563
N-[2-(hexadecanoylamino)ethyl]pyridine-3-carboxamide
CID 146558338
N-octadecylpyridine-3-carboxamide
CID 3547337
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755

Frequently Asked Questions

What is the IUPAC name of N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide?
The IUPAC name of N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide (CID 3313414) is N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide is CCCNC(=O)CC(C)=NNC(=O)c1cccnc1.
What is the InChIKey of N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide?
The InChIKey is JDBJGKVKZGLLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-6-15-12(18)8-10(2)16-17-13(19)11-5-4-7-14-9-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide?
N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-oxo-4-(propylamino)butan-2-ylidene]amino]pyridine-3-carboxamide is sourced from PubChem (CID 3313414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).