N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide

C11H15N3O — CID 6114549

IUPACN-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
SMILESCCC/C(C)=N\NC(=O)c1ccncc1
InChIInChI=1S/C11H15N3O/c1-3-4-9(2)13-14-11(15)10-5-7-12-8-6-10/h5-8H,3-4H2,1-2H3,(H,14,15)/b13-9-
InChIKeyMCQZXSRTTKGBSJ-LCYFTJDESA-N
MW205.26 g/mol
LogP1.99
Rot. Bonds4

About N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide

N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide (PubChem CID 6114549) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
PubChem CID6114549
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
SMILESCCC/C(C)=N\NC(=O)c1ccncc1
InChIInChI=1S/C11H15N3O/c1-3-4-9(2)13-14-11(15)10-5-7-12-8-6-10/h5-8H,3-4H2,1-2H3,(H,14,15)/b13-9-
InChIKeyMCQZXSRTTKGBSJ-LCYFTJDESA-N
XLogP1.99
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016
4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 9070750
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
4-nitro-N-(pentan-2-ylideneamino)benzamide
CID 5106021
N-[(E)-[4-[[(2R)-butan-2-yl]amino]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
CID 98157343
N-[(E)-[4-(4-bromoanilino)-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide
CID 6085415
3-(hydrazinecarbonyl)-N-(pentan-2-ylideneamino)benzamide
CID 151685716
3,4,5-triethoxy-N-[(E)-pentan-2-ylideneamino]benzamide
CID 19685354
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
N-(2-methylpentan-3-ylideneamino)pyridine-4-carboxamide
CID 84902461
2-[2-[[(4E)-4-(pyridine-4-carbonylhydrazinylidene)pentanoyl]amino]ethylsulfanyl]ethyloxidanium
CID 145126509
N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
CID 6088045

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide (CID 6114549) is N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide is CCC/C(C)=N\NC(=O)c1ccncc1.
What is the InChIKey of N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide?
The InChIKey is MCQZXSRTTKGBSJ-LCYFTJDESA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-4-9(2)13-14-11(15)10-5-7-12-8-6-10/h5-8H,3-4H2,1-2H3,(H,14,15)/b13-9-.
What are the key properties of N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide?
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6114549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).